6PJI
HIV-1 Protease NL4-3 WT in Complex with LR3-43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.07812 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.137, 58.646, 61.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.373 - 1.900 |
R-factor | 0.1902 |
Rwork | 0.188 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.044 |
Data scaling software | HKL-2000 (v717) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.038 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 15198 | 2903 |
<I/σ(I)> | 24.1 | |
Completeness [%] | 99.0 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 23-27% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |