2QCI
HIV-1 Protease mutant D30N 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 | 2004-03-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99997 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.420, 86.231, 46.008 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.200 |
| Rwork | 0.160 |
| R-free | 0.19580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z4o |
| RMSD bond length | 0.013 |
| 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 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.089 | 0.368 |
| Number of reflections | 65319 | |
| <I/σ(I)> | 14.7 | 2.34 |
| Completeness [%] | 89.0 | 51 |
| Redundancy | 6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 25mM sodium acetate, 10% (w/v) sodium chloride, 0.5% dioxane, 1.5% (v/v) dimethylsulfoxide (DMSO), pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
