2A4R
HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 223.603, 223.603, 75.354 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 8.000 - 2.400 |
| Rwork | 0.201 |
| R-free | 0.27100 |
| Structure solution method | FOURIER SYNTHESIS |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.810 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (98.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 100.000 | 2.490 |
| 分解能 [Å] (高) | 2.400 | 2.400 |
| Rmerge_l_obs | 0.047 | 0.489 |
| 独立反射数 | 28197 | |
| <I/σ(I)> | 23.3 | 24 |
| 完全性 [%] | 99.2 | 98.8 |
| 冗長性 | 3.5 | 3.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 273 | MES, sodium potassium phosphate, sodium chloride, 2-mercaptoethanol, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
