2HB3
Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2006-04-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.96 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.080, 86.480, 45.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.350 |
| R-factor | 0.1498 |
| Rwork | 0.147 |
| R-free | 0.19230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 41452 | |
| Completeness [%] | 81.6 | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | reservior contained 0.1M NaOAc buffer (pH=4.2) and 1.4M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
