4YOA
Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-05-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | .978 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 45.470, 45.470, 102.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.267 - 1.697 |
R-factor | 0.1937 |
Rwork | 0.190 |
R-free | 0.22460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yob |
RMSD bond length | 0.014 |
RMSD bond angle | 1.543 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 102.220 | 1.900 |
High resolution limit [Å] | 1.697 | 1.700 |
Rmerge | 0.049 | 0.615 |
Number of reflections | 12545 | |
<I/σ(I)> | 26.9 | 4.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.7 | 14.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.4M ammonium sulfate, 0.1 M MES, pH 6.2; 2.4M ammonium sulfate, 0.1 M MES, pH 6.2 |