4DQC
Crystal Structure of (G16C/L38C) 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 | 50.963, 57.888, 61.856 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 1.940 |
R-factor | 0.18392 |
Rwork | 0.182 |
R-free | 0.22951 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.435 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.940 | 4.200 | 1.950 |
Rmerge | 0.073 | 0.031 | 0.395 |
Number of reflections | 13469 | ||
<I/σ(I)> | 10.4 | ||
Completeness [%] | 96.3 | 98.8 | 93.5 |
Redundancy | 6.9 | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |