4KBI
HCV NS5B GT1B N316Y with CMPD 4
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 | 2010-03-24 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 86.040, 106.450, 126.490 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 40.720 - 2.060 |
R因子 | 0.21319 |
Rwork | 0.211 |
R-free | 0.25039 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
結合角の平均二乗偏差(RMSD) [度] | 0.961 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 40.720 | 50.000 | 2.290 |
分解能 [Å] (高) | 2.060 | 6.100 | 2.250 |
Rmerge_l_obs | 0.104 | 0.055 | 0.469 |
独立反射数 | 71514 | ||
<I/σ(I)> | 7.4 | ||
完全性 [%] | 97.1 | 99.6 | 89.7 |
冗長性 | 6.5 | 6.7 | 6.2 |
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 |