3BYC
Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H
Experimental procedure
実験手法 | WAVELENGTH-RESOLVED LAUE |
Temperature [K] | 300 |
Detector technology | TOF AREA DETECTOR |
Collection date | 2007-01-01 |
Detector | BNL |
Wavelength(s) | 0.6, 7.0 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 43.441, 83.291, 87.509 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 19.540 - 2.200 |
Rwork | 0.264 |
R-free | 0.31500 |
Structure solution method | existing x-ray model used |
結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
結合角の平均二乗偏差(RMSD) [度] | 1.000 |
Refinement software | nCNS (1.0.0) |
Quality characteristics
Overall | |
分解能 [Å] (低) | 38.910 |
分解能 [Å] (高) | 1.850 |
独立反射数 | 12068 |
完全性 [%] | 43.3 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION | 6.5 | 298 | PEG 4000, pH 6.5, vapor diffusion, temperature 298K |
2 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 4000, pH 6.5, vapor diffusion, hanging drop, temperature 298K |