4QJ9
Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (R452S)
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 | 2011-10-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.861, 57.883, 61.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.230 - 1.830 |
R-factor | 0.15968 |
Rwork | 0.157 |
R-free | 0.20745 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.508 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Number of reflections | 16417 | |
<I/σ(I)> | 19.12 | 7.28 |
Completeness [%] | 98.4 | 98.5 |
Redundancy | 7.8 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | ammonium sulfate, sodium citrate, sodium phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |