3SA7
Crystal structure of wild-type HIV-1 protease in complex with AF55
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-16 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.922, 57.764, 61.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.150 - 1.500 |
R-factor | 0.1987 |
Rwork | 0.197 |
R-free | 0.23170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.481 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.068 | 0.032 | 0.428 |
Number of reflections | 29808 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 99.8 | 97.8 | 100 |
Redundancy | 7 | 6.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | HANGING DROP, VAPOR DIFFUSION | 6.2 | 295 | 24-29% ammonium sulfate, 63 mM sodium citrate, 126 mM phosphate buffer, pH 6.2, HANGING DROP, VAPOR DIFFUSION, temperature 295K |