4HDP
Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.8 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.592, 85.945, 46.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.220 |
R-factor | 0.1649 |
Rwork | 0.165 |
R-free | 0.20330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f8g |
RMSD bond length | 0.014 |
RMSD bond angle | 0.034 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.260 |
High resolution limit [Å] | 1.220 | 1.220 |
Rmerge | 0.474 | |
Number of reflections | 64041 | |
<I/σ(I)> | 2.1 | |
Completeness [%] | 91.5 | 65.4 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 1.26-1.46 M NaCl, 0.06 M Sodium Acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |