2A4Q
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Detector technology | CCD |
| Collection date | 2004-11-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 224.923, 224.923, 75.317 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 8.000 - 2.450 |
| Rwork | 0.191 |
| R-free | 0.27400 |
| 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] | 1.845 |
| 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 | 2.510 |
| 分解能 [Å] (高) | 2.450 | 2.450 |
| Rmerge_l_obs | 0.071 | 0.466 |
| 独立反射数 | 26060 | |
| <I/σ(I)> | 15.36 | 1.72 |
| 完全性 [%] | 98.6 | 89.2 |
| 冗長性 | 3.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 285 | MES, sodium potassium phosphate, sodium chloride, 2-mercaptoethanol, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
