4KB7
HCV NS5B GT1B N316Y with CMPD 32
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 | 2010-01-01 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 86.031, 106.616, 126.515 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 81.530 - 1.850 |
R因子 | 0.2101 |
Rwork | 0.208 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
結合角の平均二乗偏差(RMSD) [度] | 1.017 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 126.515 | 126.515 | 1.910 |
分解能 [Å] (高) | 1.811 | 5.730 | 1.811 |
Rmerge_l_obs | 0.069 | 0.031 | 0.448 |
Total number of observations | 24567 | 21662 | |
独立反射数 | 95243 | ||
<I/σ(I)> | 15.9 | 19.5 | 1.8 |
完全性 [%] | 89.6 | 99.8 | 52.6 |
冗長性 | 6.2 | 6.8 | 2.7 |
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 |