3PWM
HIV-1 Protease Mutant L76V with Darunavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.322, 86.329, 45.983 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.460 |
| R-factor | 0.14 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ien |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.032 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.052 | 0.492 |
| Number of reflections | 37895 | |
| <I/σ(I)> | 34.9 | 2.1 |
| Completeness [%] | 91.9 | 54.9 |
| Redundancy | 6.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 298 | CRYSTAL WAS GROWN BY THE HANGING-DROP VAPOR-DIFFUSION METHOD AT ROOM TEMPERATURE FROM A 7 MG/ML PROTEIN SOLUTION AT PH 5.0 WITH 1.4 M NACL, 0.03 M NAOAC, 3% DMSO.THE INHIBITOR WAS MIXED WITH PROTEASE IN A RATIO 5:1, VAPOR DIFFUSION, HANGING DROP TEMPERATURE 298K |
