2IDW
Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor (UIC-94017)
Replaces: 1S65Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2002-12-10 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.790, 57.874, 61.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.100 |
R-factor | 0.117 |
Rwork | 0.116 |
R-free | 0.14500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1daz |
RMSD bond length | 0.014 |
RMSD bond angle | 0.034 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.052 | 0.196 |
Number of reflections | 74707 | |
<I/σ(I)> | 18.4 | |
Completeness [%] | 99.7 | 97.6 |
Redundancy | 5.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | AMMONIUM SULFATE, CITRIC PHOSPHATE, DMSO, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |