data_r3kw6sf # _audit.revision_id 1_0 _audit.creation_date 2009-12-22 _audit.update_record 'Initial release' # _cell.entry_id 3kw6 _cell.length_a 82.415 _cell.length_b 82.415 _cell.length_c 26.001 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 # _symmetry.entry_id 3kw6 _symmetry.space_group_name_H-M 'P 31 2 1' # _diffrn_radiation.id 1 _diffrn_radiation.pdbx_wavelength 0.97900 # # # loop_ _refln.crystal_id _refln.wavelength_id _refln.scale_group_code _refln.status _refln.index_h _refln.index_k _refln.index_l _refln.F_meas_au _refln.F_meas_sigma_au 1 1 1 o 0 0 -12 11.2800 0.410000 1 1 1 f 1 0 -12 13.9900 0.330000 1 1 1 o 2 0 -12 13.3900 0.240000 1 1 1 o 3 0 -12 18.7400 0.210000 1 1 1 o 4 0 -12 19.5400 0.240000 1 1 1 o 5 0 -12 10.5700 0.280000 1 1 1 o 6 0 -12 16.8900 0.250000 1 1 1 o 7 0 -12 20.4600 0.270000 1 1 1 o 8 0 -12 6.05000 0.560000 1 1 1 o 1 1 -12 8.57000 0.300000 1 1 1 o 2 1 -12 8.47000 0.310000 1 1 1 o 3 1 -12 18.3000 0.290000 1 1 1 o 4 1 -12 9.37000 0.350000 1 1 1 f 5 1 -12 7.06000 0.380000 1 1 1 o 6 1 -12 12.5300 0.270000 1 1 1 o 7 1 -12 9.45000 0.360000 1 1 1 o -1 2 -12 9.51000 0.330000 1 1 1 o 2 2 -12 13.6100 0.370000 1 1 1 o 3 2 -12 26.0100 0.360000 1 1 1 o 4 2 -12 10.2800 0.350000 1 1 1 o 5 2 -12 10.2800 0.390000 1 1 1 o 6 2 -12 9.67000 0.370000 1 1 1 o 7 2 -12 12.8500 0.350000 1 1 1 o -1 3 -12 12.6500 0.300000 1 1 1 o 3 3 -12 5.71000 0.730000 1 1 1 o 4 3 -12 9.79000 0.490000 1 1 1 o 5 3 -12 12.3700 0.480000 1 1 1 < 6 3 -12 0 0 1 1 1 o -2 4 -12 12.9500 0.320000 1 1 1 o -1 4 -12 26.6500 0.310000 1 1 1 o 4 4 -12 12.1000 0.420000 1 1 1 o 5 4 -12 11.5400 0.510000 1 1 1 o -2 5 -12 37.9700 0.390000 1 1 1 o -1 5 -12 9.36000 0.340000 1 1 1 o -3 6 -12 6.06000 0.720000 1 1 1 o -2 6 -12 16.9000 0.340000 1 1 1 o -1 6 -12 2.76000 1.34000 1 1 1 o -3 7 -12 17.7700 0.330000 1 1 1 o -2 7 -12 9.27000 0.410000 1 1 1 o -1 7 -12 22.7300 0.280000 1 1 1 o -4 8 -12 11.7700 0.510000 1 1 1 o -3 8 -12 6.81000 0.520000 1 1 1 o -2 8 -12 21.4200 0.270000 1 1 1 f -1 8 -12 7.91000 0.440000 1 1 1 o -4 9 -12 5.07000 0.830000 1 1 1 o -3 9 -12 9.35000 0.450000 1 1 1 o -2 9 -12 4.85000 0.680000 1 1 1 f 1 0 -11 29.0000 0.250000 1 1 1 o 2 0 -11 9.07000 0.230000 1 1 1 o 3 0 -11 3.27000 0.760000 1 1 1 o 4 0 -11 16.5100 0.230000 1 1 1 o 5 0 -11 3.24000 0.900000 1 1 1 o 6 0 -11 13.7800 0.270000 1 1 1 o 7 0 -11 6.15000 0.500000 1 1 1 o 8 0 -11 12.9700 0.300000 1 1 1 o 9 0 -11 21.8700 0.290000 1 1 1 o 10 0 -11 24.1400 0.330000 1 1 1 o 11 0 -11 11.1400 0.390000 1 1 1 o 12 0 -11 8.98000 0.520000 1 1 1 o 13 0 -11 6.27000 0.450000 1 1 1 o 14 0 -11 10.4900 0.310000 1 1 1 o 15 0 -11 23.3500 0.260000 1 1 1 o 1 1 -11 23.0400 0.480000 1 1 1 f 2 1 -11 24.8600 0.310000 1 1 1 o 3 1 -11 9.18000 0.260000 1 1 1 o 4 1 -11 7.03000 0.370000 1 1 1 o 5 1 -11 17.5400 0.240000 1 1 1 o 6 1 -11 8.27000 0.370000 1 1 1 o 7 1 -11 10.1800 0.390000 1 1 1 o 8 1 -11 27.9500 0.310000 1 1 1 o 9 1 -11 16.9700 0.300000 1 1 1 o 10 1 -11 12.3700 0.460000 1 1 1 o 11 1 -11 14.1100 0.290000 1 1 1 o 12 1 -11 11.7300 0.360000 1 1 1 o 13 1 -11 9.71000 0.290000 1 1 1 o 14 1 -11 19.9800 0.240000 1 1 1 o 15 1 -11 6.22000 0.560000 1 1 1 o -1 2 -11 20.7000 0.260000 1 1 1 o 2 2 -11 24.6100 0.300000 1 1 1 o 3 2 -11 6.16000 0.680000 1 1 1 o 4 2 -11 8.80000 0.280000 1 1 1 f 5 2 -11 34.3700 0.320000 1 1 1 o 6 2 -11 27.6100 0.290000 1 1 1 o 7 2 -11 19.6700 0.280000 1 1 1 f 8 2 -11 14.0200 0.310000 1 1 1 o 9 2 -11 19.7500 0.290000 1 1 1 f 10 2 -11 8.64000 0.420000 1 1 1 o 11 2 -11 10.0100 0.540000 1 1 1 f 12 2 -11 5.11000 0.740000 1 1 1 o 13 2 -11 10.3900 0.340000 1 1 1 o 14 2 -11 7.66000 0.470000 1 1 1 o -1 3 -11 26.3200 0.240000 1 1 1 o 3 3 -11 6.94000 0.510000 1 1 1 o 4 3 -11 14.1800 0.320000 1 1 1 o 5 3 -11 4.18000 0.870000 1 1 1 o 6 3 -11 15.5400 0.260000 1 1 1 o 7 3 -11 12.7300 0.290000 1 1 1 f 8 3 -11 9.01000 0.370000 1 1 1 o 9 3 -11 11.8800 0.340000 1 1 1 o 10 3 -11 7.89000 0.650000 1 1 1 o 11 3 -11 8.48000 0.450000 1 1 1 f 12 3 -11 7.17000 0.680000 1 1 1 o 13 3 -11 8.89000 0.390000 1 1 1 o -2 4 -11 26.3000 0.320000 1 1 1 o -1 4 -11 17.8500 0.250000 1 1 1 o 4 4 -11 12.8500 0.360000 1 1 1 o 5 4 -11 18.3700 0.220000 1 1 1 o 6 4 -11 24.9500 0.250000 1 1 1 o 7 4 -11 19.0500 0.280000 1 1 1 o 8 4 -11 16.8700 0.290000 1 1 1 o 9 4 -11 15.5200 0.340000 1 1 1 o 10 4 -11 10.2900 0.460000 1 1 1 o 11 4 -11 14.4000 0.370000 1 1 1 o 12 4 -11 17.2400 0.360000 1 1 1 o 13 4 -11 11.7000 0.340000 1 1 1 o -2 5 -11 16.7200 0.250000 1 1 1 o -1 5 -11 5.08000 0.490000 1 1 1 o 5 5 -11 17.8400 0.260000 1 1 1 o 6 5 -11 7.64000 0.470000 1 1 1 o 7 5 -11 11.9900 0.350000 1 1 1 o 8 5 -11 24.4600 0.360000 1 1 1 o 9 5 -11 6.42000 0.610000 1 1 1 o 10 5 -11 15.2900 0.360000 1 1 1 o 11 5 -11 12.0500 0.420000 1 1 1 o 12 5 -11 8.20000 0.410000 1 1 1 o -3 6 -11 7.87000 0.610000 1 1 1 o -2 6 -11 24.6700 0.250000 1 1 1 o -1 6 -11 3.97000 0.700000 1 1 1 o 6 6 -11 15.5800 0.260000 1 1 1 o 7 6 -11 15.8100 0.320000 1 1 1 f 8 6 -11 14.4000 0.350000 1 1 1 o 9 6 -11 5.12000 0.980000 1 1 1 o 10 6 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0.470000 1 1 1 o -6 12 -11 14.8600 0.340000 1 1 1 o -5 12 -11 16.4000 0.300000 1 1 1 o -4 12 -11 5.86000 0.580000 1 1 1 o -3 12 -11 13.6500 0.330000 1 1 1 o -2 12 -11 3.66000 1.21000 1 1 1 o -1 12 -11 7.67000 0.550000 1 1 1 o -6 13 -11 11.6200 0.390000 1 1 1 o -5 13 -11 17.3100 0.310000 1 1 1 o -4 13 -11 22.8200 0.280000 1 1 1 o -3 13 -11 13.2700 0.380000 1 1 1 o -2 13 -11 5.17000 0.880000 1 1 1 o -1 13 -11 12.0000 0.430000 1 1 1 o -7 14 -11 13.0000 0.400000 1 1 1 o -6 14 -11 12.3700 0.390000 1 1 1 o -5 14 -11 8.81000 0.470000 1 1 1 o -4 14 -11 14.4800 0.320000 1 1 1 o -3 14 -11 10.2200 0.400000 1 1 1 o -2 14 -11 7.38000 0.610000 1 1 1 o -1 14 -11 5.57000 0.760000 1 1 1 o -7 15 -11 6.68000 0.730000 1 1 1 o -6 15 -11 5.11000 0.940000 1 1 1 o -5 15 -11 12.0500 0.370000 1 1 1 < -4 15 -11 1.58000 1.58000 1 1 1 < -3 15 -11 2.47000 2.47000 1 1 1 o -2 15 -11 7.01000 0.610000 1 1 1 o -1 15 -11 3.97000 1.25000 1 1 1 f -8 16 -11 5.14000 0.980000 1 1 1 < -7 16 -11 0 0 1 1 1 o -6 16 -11 8.92000 0.510000 1 1 1 o -5 16 -11 4.43000 1.04000 1 1 1 o -4 16 -11 6.44000 0.590000 1 1 1 o -3 16 -11 4.90000 0.860000 1 1 1 o -2 16 -11 11.2800 0.410000 1 1 1 o -1 16 -11 12.6900 0.310000 1 1 1 o -8 17 -11 5.87000 1.06000 1 1 1 < -7 17 -11 0 0 1 1 1 f -6 17 -11 15.5100 0.330000 1 1 1 f -5 17 -11 6.51000 0.780000 1 1 1 o -4 17 -11 4.64000 0.990000 1 1 1 o -9 18 -11 16.5000 0.410000 1 1 1 o 1 0 -10 34.2100 0.220000 1 1 1 o 2 0 -10 30.2100 0.290000 1 1 1 f 3 0 -10 4.68000 0.510000 1 1 1 < 4 0 -10 0.450000 0.450000 1 1 1 o 5 0 -10 6.77000 0.410000 1 1 1 o 6 0 -10 23.8200 0.270000 1 1 1 o 7 0 -10 19.0300 0.290000 1 1 1 o 8 0 -10 19.2200 0.290000 1 1 1 o 9 0 -10 10.3600 0.370000 1 1 1 f 10 0 -10 19.5400 0.320000 1 1 1 o 11 0 -10 29.8400 0.250000 1 1 1 o 12 0 -10 7.25000 0.350000 1 1 1 o 13 0 -10 4.38000 0.640000 1 1 1 o 14 0 -10 5.43000 0.590000 1 1 1 o 15 0 -10 13.7800 0.300000 1 1 1 o 16 0 -10 9.92000 0.390000 1 1 1 o 17 0 -10 5.05000 0.780000 1 1 1 o 18 0 -10 3.70000 1.31000 1 1 1 o 19 0 -10 13.9200 0.350000 1 1 1 o 20 0 -10 8.42000 0.530000 1 1 1 o 1 1 -10 37.2800 0.430000 1 1 1 o 2 1 -10 21.5800 0.310000 1 1 1 o 3 1 -10 12.3100 0.250000 1 1 1 o 4 1 -10 5.53000 0.460000 1 1 1 o 5 1 -10 13.1800 0.260000 1 1 1 o 6 1 -10 11.5000 0.290000 1 1 1 o 7 1 -10 21.3400 0.280000 1 1 1 o 8 1 -10 26.8600 0.300000 1 1 1 o 9 1 -10 16.6800 0.260000 1 1 1 o 10 1 -10 14.9900 0.310000 1 1 1 o 11 1 -10 21.3800 0.220000 1 1 1 < 12 1 -10 0 0 1 1 1 o 13 1 -10 4.09000 0.750000 1 1 1 f 14 1 -10 8.02000 0.420000 1 1 1 o 15 1 -10 20.2700 0.260000 1 1 1 < 16 1 -10 2.66000 2.35000 1 1 1 o 17 1 -10 7.75000 0.550000 1 1 1 o 18 1 -10 11.9200 0.370000 1 1 1 o 19 1 -10 6.45000 0.690000 1 1 1 o -1 2 -10 39.2900 0.300000 1 1 1 o 2 2 -10 15.4500 0.450000 1 1 1 o 3 2 -10 6.75000 0.400000 1 1 1 o 4 2 -10 16.6300 0.260000 1 1 1 o 5 2 -10 7.90000 0.360000 1 1 1 o 6 2 -10 5.58000 0.470000 1 1 1 o 7 2 -10 10.3400 0.300000 1 1 1 o 8 2 -10 14.8600 0.270000 1 1 1 o 9 2 -10 15.2600 0.290000 1 1 1 o 10 2 -10 11.3600 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6 -10 7.28000 0.460000 1 1 1 o 7 6 -10 16.0500 0.300000 1 1 1 o 8 6 -10 14.2700 0.310000 1 1 1 o 9 6 -10 8.06000 0.480000 1 1 1 o 10 6 -10 12.3700 0.320000 1 1 1 o 11 6 -10 11.4100 0.370000 1 1 1 f 12 6 -10 9.20000 0.490000 1 1 1 o 13 6 -10 7.15000 0.620000 1 1 1 o 14 6 -10 17.2600 0.330000 1 1 1 o 15 6 -10 9.83000 0.510000 1 1 1 o 16 6 -10 4.60000 1.15000 1 1 1 f -3 7 -10 9.88000 0.300000 1 1 1 o -2 7 -10 6.20000 0.500000 1 1 1 o -1 7 -10 20.3500 0.250000 1 1 1 o 7 7 -10 11.6500 0.360000 1 1 1 o 8 7 -10 9.54000 0.430000 1 1 1 < 9 7 -10 0 0 1 1 1 o 10 7 -10 15.3300 0.310000 1 1 1 o 11 7 -10 12.7900 0.330000 1 1 1 o 12 7 -10 5.37000 0.710000 1 1 1 o 13 7 -10 5.81000 0.820000 1 1 1 o 14 7 -10 13.0700 0.400000 1 1 1 o 15 7 -10 6.03000 0.800000 1 1 1 o -4 8 -10 6.08000 0.380000 1 1 1 o -3 8 -10 18.2700 0.260000 1 1 1 o -2 8 -10 12.5900 0.280000 1 1 1 o -1 8 -10 19.3500 0.270000 1 1 1 o 8 8 -10 9.70000 0.330000 1 1 1 o 9 8 -10 11.9200 0.330000 1 1 1 o 10 8 -10 11.0900 0.370000 1 1 1 o 11 8 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f -2 14 11 6.42000 0.520000 1 1 1 o -1 14 11 11.2900 0.270000 1 1 1 o -7 15 11 9.73000 0.490000 1 1 1 o -6 15 11 6.11000 0.790000 1 1 1 o -5 15 11 15.4900 0.360000 1 1 1 o -4 15 11 16.5800 0.330000 1 1 1 f -3 15 11 8.00000 0.490000 1 1 1 o -2 15 11 10.2100 0.300000 1 1 1 o -1 15 11 19.7000 0.230000 1 1 1 o -7 16 11 15.0200 0.410000 1 1 1 o -6 16 11 14.4700 0.370000 1 1 1 o -5 16 11 11.9900 0.420000 1 1 1 o -4 16 11 18.5600 0.250000 1 1 1 o -3 16 11 9.34000 0.330000 1 1 1 o -2 16 11 8.58000 0.370000 1 1 1 o -1 16 11 5.67000 0.580000 1 1 1 o -8 17 11 23.0000 0.350000 1 1 1 o -7 17 11 12.5700 0.450000 1 1 1 o -6 17 11 8.22000 0.580000 1 1 1 o -5 17 11 8.17000 0.360000 1 1 1 o -4 17 11 14.0500 0.300000 1 1 1 o 1 0 12 21.3300 0.260000 1 1 1 o 2 0 12 2.55000 1.14000 1 1 1 o 3 0 12 4.06000 0.600000 1 1 1 o 4 0 12 26.5300 0.330000 1 1 1 < 5 0 12 0 0 1 1 1 o 6 0 12 13.5300 0.310000 1 1 1 o 7 0 12 19.1000 0.290000 1 1 1 o 8 0 12 7.21000 0.500000 1 1 1 o 2 1 12 12.0600 0.290000 1 1 1 o 3 1 12 23.8400 0.300000 1 1 1 o 4 1 12 11.7200 0.330000 1 1 1 o 5 1 12 3.27000 1.20000 1 1 1 o 6 1 12 21.5300 0.290000 1 1 1 f 7 1 12 7.67000 0.460000 1 1 1 o 3 2 12 38.9300 0.430000 1 1 1 o 4 2 12 17.2600 0.290000 1 1 1 o 5 2 12 7.80000 0.490000 1 1 1 o 6 2 12 20.0900 0.380000 1 1 1 o 7 2 12 4.12000 0.960000 1 1 1 o -1 3 12 10.4200 0.320000 1 1 1 o 4 3 12 17.7000 0.300000 1 1 1 o 5 3 12 6.33000 0.650000 1 1 1 o 6 3 12 9.23000 0.470000 1 1 1 o -1 4 12 17.4000 0.280000 1 1 1 o 5 4 12 3.97000 1.01000 1 1 1 o -2 5 12 25.3600 0.330000 1 1 1 o -1 5 12 7.28000 0.630000 1 1 1 o -2 6 12 10.0600 0.510000 1 1 1 f -1 6 12 8.14000 0.300000 1 1 1 o -3 7 12 11.0600 0.490000 1 1 1 o -2 7 12 10.9300 0.450000 1 1 1 o -1 7 12 10.8300 0.300000 1 1 1 o -3 8 12 12.6400 0.450000 1 1 1 o -2 8 12 8.99000 0.350000 1 1 1 o -1 8 12 10.8000 0.330000 1 1 1 o -4 9 12 12.1800 0.470000 1 1 1 o -3 9 12 4.95000 0.650000 1 1 1 o -2 9 12 12.3400 0.320000 #END OF REFLECTIONS