4MC1
HIV protease in complex with SA526P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.537, 86.042, 46.175 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.350 - 1.390 |
R-factor | 0.1832 |
Rwork | 0.183 |
R-free | 0.18820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.220 |
Data reduction software | XDS |
Data scaling software | SCALA (0.1.27) |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.042 | |
High resolution limit [Å] | 1.390 | 1.390 |
Number of reflections | 47403 | |
Completeness [%] | 100.0 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.7 M sodium chloride, 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |