3D1Z
Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2005-06-12 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.260, 85.910, 46.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.300 |
Rwork | 0.150 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1daz |
RMSD bond length | 0.013 |
RMSD bond angle | 0.034 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.089 | 0.570 |
Number of reflections | 43720 | |
<I/σ(I)> | 24.4 | 2.2 |
Completeness [%] | 81.7 | 80.8 |
Redundancy | 5.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | SODIUM ACETATE BUFFER, 20-25% NaCl, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |