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 |