4EQJ
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH
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 | 2009-03-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.994, 59.286, 62.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.890 - 1.800 |
R-factor | 0.19961 |
Rwork | 0.197 |
R-free | 0.23917 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.461 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.068 | 0.041 | 0.506 |
Number of reflections | 18038 | ||
<I/σ(I)> | 14.8 | ||
Completeness [%] | 99.4 | 94.9 | 100 |
Redundancy | 6.1 | 5.4 | 6.3 |
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, hanging drop, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP |