6P9A
HIV-1 Protease multiple mutant PRS5B with Darunavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 74.001, 74.001, 93.983 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.030 - 1.660 |
R-factor | 0.18285 |
Rwork | 0.181 |
R-free | 0.21471 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nu3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.861 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.066 | 0.491 |
Rmeas | 0.076 | 0.565 |
Rpim | 0.037 | 0.275 |
Number of reflections | 31010 | 3033 |
<I/σ(I)> | 18.1 | 3.2 |
Completeness [%] | 98.5 | 98.4 |
Redundancy | 4 | 4.1 |
CC(1/2) | 0.999 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 292 | 2.2 M Ammonium Phosphate and 100 mM Tris buffer at pH 7.9. |