6PRF
HIV-1 Protease multiple drug resistant clinical isolate mutant PR20 with GRL-14213A
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 | 2018-10-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 |
| Unit cell lengths | 60.565, 60.565, 85.139 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.550 - 1.210 |
| R-factor | 0.154 |
| Rwork | 0.152 |
| R-free | 0.18970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yhq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.179 |
| 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 | 1.250 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.092 | 0.500 |
| Rmeas | 0.098 | 0.623 |
| Rpim | 0.033 | 0.362 |
| Number of reflections | 46059 | 2127 |
| <I/σ(I)> | 21 | 2 |
| Completeness [%] | 99.7 | 90 |
| Redundancy | 7.5 | 2.3 |
| CC(1/2) | 0.989 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.8 M sodium chloride, 0.1 M sodium acetate pH 5.5, 0.01M yittrium chloride |
