2AOC
Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.802, 85.589, 46.461 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.300 |
| Rwork | 0.123 |
| R-free | 0.16590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fg6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.079 | 0.330 |
| <I/σ(I)> | 14.4 | 3.2 |
| Completeness [%] | 95.9 | 72.4 |
| Redundancy | 6.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | SODIUM CHLORIDE 0.4M, DMSO 5%, CITRATE PHOSPHATE BUFFER PH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
