4OBH
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-09 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.144, 62.787, 58.537 |
Unit cell angles | 90.00, 98.03, 90.00 |
Refinement procedure
Resolution | 31.400 - 1.850 |
R-factor | 0.16327 |
Rwork | 0.161 |
R-free | 0.20882 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t3r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.554 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 31329 | |
<I/σ(I)> | 16.5 | 3.12 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 3.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 28% PEG MME 5000, 0.2M Ammonium Sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |