6OPY
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97919 |
Spacegroup name | P 61 |
Unit cell lengths | 62.114, 62.114, 82.564 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.057 - 2.130 |
R-factor | 0.2018 |
Rwork | 0.191 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dh0 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.783 |
Data scaling software | HKL-3000 (v703x) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.346 |
High resolution limit [Å] | 2.130 | 2.131 |
Number of reflections | 9912 | 2291 |
<I/σ(I)> | 29.7 | |
Completeness [%] | 97.0 | |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 19-26% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |