6EX9
Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide
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 | 2016-02-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97933 |
Spacegroup name | P 41 21 2 |
格子定数 [Å] | 96.519, 96.519, 48.489 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 68.249 - 2.014 |
R因子 | 0.2284 |
Rwork | 0.226 |
R-free | 0.27930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bis |
結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
結合角の平均二乗偏差(RMSD) [度] | 0.841 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 68.260 | 2.086 |
分解能 [Å] (高) | 2.014 | 2.014 |
Rmerge_l_obs | 0.061 | 0.885 |
Rmeas | 0.067 | |
Rpim | 0.029 | |
独立反射数 | 15682 | 1524 |
<I/σ(I)> | 17.9 | 2.6 |
完全性 [%] | 100.0 | 99.93 |
冗長性 | 9.7 | |
CC(1/2) | 0.996 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION | 293 | 0.1 M Succinic acid, 15 % w/v PEG 3350 |