4DQB
Crystal Structure of wild-type 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 | 50.937, 57.750, 61.577 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.250 - 1.500 |
R-factor | 0.17043 |
Rwork | 0.169 |
R-free | 0.19619 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.425 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.046 | 0.023 | 0.440 |
Number of reflections | 27531 | ||
<I/σ(I)> | 15.1 | ||
Completeness [%] | 92.2 | 97.6 | 78.5 |
Redundancy | 7.1 | 6.8 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 126mM Phosphate buffer, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |