3CYX
Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira
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 | 2005-06-13 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.900, 86.020, 46.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.200 |
R-factor | 0.1501 |
Rwork | 0.150 |
R-free | 0.19160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1daz |
RMSD bond length | 0.014 |
RMSD bond angle | 0.032 |
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 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.089 | 0.530 |
Number of reflections | 50683 | |
<I/σ(I)> | 13.5 | 1.78 |
Completeness [%] | 73.3 | 73.3 |
Redundancy | 3.3 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | PHOSPHATE BUFFEr, 30-35% SATURATED AMMONIUM SULPHATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |