2RI6
Crystal Structure of S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
「2PU6」から置き換えられましたExperimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | I 41 2 2 |
格子定数 [Å] | 117.293, 117.293, 87.306 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 44.950 - 1.680 |
R因子 | 0.176 |
Rwork | 0.175 |
R-free | 0.20100 |
結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
結合角の平均二乗偏差(RMSD) [度] | 1.218 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 1.740 |
分解能 [Å] (高) | 1.680 | 1.680 |
独立反射数 | 34855 | |
<I/σ(I)> | 18.6 | 8.1 |
完全性 [%] | 99.8 | 99.3 |
冗長性 | 12.3 | 11.8 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.9 M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |