5T2E
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17
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 | CCD |
| Collection date | 2015-10-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 49.899, 49.899, 86.628 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.590 - 1.500 |
| R-factor | 0.13986 |
| Rwork | 0.138 |
| R-free | 0.18552 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uf3 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.556 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.057 | 0.447 |
| Number of reflections | 20429 | |
| <I/σ(I)> | 25.22 | 3.09 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 5.6 | 3.8 |
| CC(1/2) | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 2.1M sodium chloride and 0.1M HEPES pH7.6 |
