2F9U
HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-25 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 225.040, 225.040, 75.440 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 8.000 - 2.600 |
| R因子 | 0.194 |
| Rwork | 0.194 |
| R-free | 0.28600 |
| Structure solution method | FOURIER SYNTHESIS |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.830 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (98.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.660 |
| 分解能 [Å] (高) | 2.600 | 2.600 |
| Rmerge_l_obs | 0.075 | 0.490 |
| 独立反射数 | 20873 | |
| <I/σ(I)> | 18.4 | 1.3 |
| 完全性 [%] | 92.7 | 42 |
| 冗長性 | 4.6 | 1.6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 5.7 | 285 | 12-15 mG/mL Protein in 15 mM MES, pH 6.5 - 1.0 M NaCl equivolume mixture with (0.85-1.05M) NaCl- 0.1M MES-0.1 M Na/KPO4, pH5.5-5.8 - 5mM BME, equilibrated with 1.35-1.55M NaCl-0.1M MES-0.1M Na/KPO4, pH 5.6-5.8 - 5 mM BME, VAPOR DIFFUSION, HANGING DROP, temperature 285K, pH 5.70 |
