3WSJ
HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 77.260, 77.260, 159.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.600 - 2.404 |
| R-factor | 0.2088 |
| Rwork | 0.205 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lix |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.704 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.000 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.648 | |
| Number of reflections | 11561 | |
| <I/σ(I)> | 3.8 | |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M imidazole, 0.2M lithium sulphate, 10% PEG 3000 , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
