6OOT
HIV-1 Protease NL4-3 L89V, L90M Mutant in complex with darunavir
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 | 2018-06-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 61 |
Unit cell lengths | 62.203, 62.203, 82.899 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.170 - 1.822 |
R-factor | 0.1969 |
Rwork | 0.192 |
R-free | 0.23460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
RMSD bond length | 0.002 |
RMSD bond angle | 0.603 |
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 | 1.938 |
High resolution limit [Å] | 1.820 | 1.824 |
Number of reflections | 15901 | 2491 |
<I/σ(I)> | 33.6 | |
Completeness [%] | 97.4 | |
Redundancy | 16.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |