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 |
