2QD7
HIV-1 Protease Mutant V82A with potent Antiviral inhibitor GRL-98065
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 | 2003-07-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.884, 58.149, 62.106 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.110 |
| Rwork | 0.129 |
| R-free | 0.16390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2idw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.150 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.086 | 0.230 |
| Number of reflections | 73051 | |
| <I/σ(I)> | 18.2 | 4 |
| Completeness [%] | 97.4 | 80.3 |
| Redundancy | 6.8 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 25mM citrate phosphate, 10% (w/v) sodium chloride, 6-7% (v/v) dimethylsulfoxide (DMSO), pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
