3MXE
Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 200 |
Detector technology | IMAGE PLATE |
Collection date | 2007-08-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.790, 58.245, 62.014 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.280 - 1.850 |
R-factor | 0.18248 |
Rwork | 0.180 |
R-free | 0.22327 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.317 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.850 |
Rmerge | 0.087 |
Number of reflections | 16073 |
<I/σ(I)> | 8.9 |
Completeness [%] | 98.4 |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 126 mM sodium phosphate pH6.2, 63mM sodium citrate, 24%-29% ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |