4KB7
HCV NS5B GT1B N316Y with CMPD 32
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 86.031, 106.616, 126.515 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 81.530 - 1.850 |
| R因子 | 0.2101 |
| Rwork | 0.208 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 1.017 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 126.515 | 126.515 | 1.910 |
| 分解能 [Å] (高) | 1.811 | 5.730 | 1.811 |
| Rmerge_l_obs | 0.069 | 0.031 | 0.448 |
| Total number of observations | 24567 | 21662 | |
| 独立反射数 | 95243 | ||
| <I/σ(I)> | 15.9 | 19.5 | 1.8 |
| 完全性 [%] | 89.6 | 99.8 | 52.6 |
| 冗長性 | 6.2 | 6.8 | 2.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |
