4OBJ
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (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 | 50.884, 58.395, 61.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.210 - 1.750 |
| R-factor | 0.14546 |
| Rwork | 0.143 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t3r |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.551 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 18954 | |
| <I/σ(I)> | 28.6 | 9.9 |
| Completeness [%] | 99.3 | 96 |
| Redundancy | 7.3 | 5.2 |
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 |
