2NXD
Structure of HIV-1 protease D25N complexed with rt-rh analogue peptide GLY-ALA-ASP-ILE-PHE*TYR-LEU-ASP-GLY-ALA
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 200 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-29 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 51.171, 57.692, 61.482 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 42.070 - 2.000 |
R因子 | 0.1979 |
Rwork | 0.195 |
R-free | 0.25737 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1T3R - Crystal structure of HIV-1 protease complexed with the inhibitor TMC114 |
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] | 1.218 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2) |
Quality characteristics
Overall | |
分解能 [Å] (低) | 42.070 |
分解能 [Å] (高) | 2.000 |
Rmerge_l_obs | 0.034 |
独立反射数 | 11909 |
<I/σ(I)> | 21.2 |
完全性 [%] | 92.7 |
冗長性 | 5 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 126 mM sodium phosphate pH 6.2; 63mM sodium citrate; 25-35%Ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |