4DQH
Crystal Structure of (R14C/E65C) HIV-1 Protease in complex with DRV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.706, 57.982, 61.546 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.220 - 1.790 |
R-factor | 0.17262 |
Rwork | 0.170 |
R-free | 0.21879 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.367 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.790 | 3.860 | 1.790 |
Rmerge | 0.071 | 0.036 | 0.417 |
Number of reflections | 17513 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.0 | 99.4 | 97.1 |
Redundancy | 6.9 | 6.7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 50mM Citrate phosphate buffer pH 5.0, 7% DMSO, 24-35% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP |