4OBK
Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N)
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 | 2009-03-09 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.945, 58.412, 61.457 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.730 - 1.650 |
R-factor | 0.18155 |
Rwork | 0.180 |
R-free | 0.21081 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t3r |
RMSD bond length | 0.009 |
RMSD bond angle | 1.589 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 22293 | |
<I/σ(I)> | 20.22 | 5.39 |
Completeness [%] | 98.1 | 98.1 |
Redundancy | 7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 1.0M Ammonium sulphate, 0.1M Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |