4KHM
HCV NS5B GT1A with GSK5852
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-17 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | P 1 |
| 格子定数 [Å] | 53.030, 61.111, 91.682 |
| 格子定数 [度] | 89.63, 87.06, 80.91 |
精密化法
| 残基 | 29.190 - 1.700 |
| R因子 | 0.193 |
| Rwork | 0.192 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.949 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.720 |
| 分解能 [Å] (高) | 1.660 | 1.660 |
| Rmerge_l_obs | 0.088 | 0.587 |
| 独立反射数 | 130250 | |
| <I/σ(I)> | 6.4 | |
| 完全性 [%] | 97.3 | 95.7 |
| 冗長性 | 4 | 4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 5 | 298 | 0.1M Hepes pH7.5, 14% PEG6000, 0.2M ammonium sulfate, 10% glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K |
