2XCN
Crystal structure of HCV NS3 protease with a boronate inhibitor
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-15 |
Detector | ADSC CCD |
Spacegroup name | H 3 2 |
格子定数 [Å] | 231.370, 231.370, 75.667 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 70.710 - 3.020 |
R因子 | 0.18674 |
Rwork | 0.184 |
R-free | 0.23879 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
結合角の平均二乗偏差(RMSD) [度] | 1.481 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0102) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 70.710 | 3.180 |
分解能 [Å] (高) | 3.020 | 3.020 |
Rmerge_l_obs | 0.120 | 0.700 |
独立反射数 | 15159 | |
<I/σ(I)> | 12.7 | 3.1 |
完全性 [%] | 100.0 | 100 |
冗長性 | 6.9 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | 6.5 | pH 6.5 |