5HDF
Hydrolase SeMet-StnA
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-27 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9819 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 178.420, 81.970, 118.693 |
格子定数 [度] | 90.00, 126.75, 90.00 |
精密化法
残基 | 50.000 - 2.710 |
R因子 | 0.19366 |
Rwork | 0.192 |
R-free | 0.21957 |
Structure solution method | SAD |
結合長の平均二乗偏差(RMSD) [Å] | 0.017 |
結合角の平均二乗偏差(RMSD) [度] | 1.250 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0103) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.800 |
分解能 [Å] (高) | 2.710 | 2.700 |
Rmerge_l_obs | 0.111 | 0.300 |
独立反射数 | 37623 | |
<I/σ(I)> | 14.55 | 6.08 |
完全性 [%] | 99.9 | 99.9 |
冗長性 | 3.8 | 3.8 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 287 | 30% 2-propanol, 0.1 M Sodium citrate pH 5.0,12% PEG 3350 |