4DJR
Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.728, 57.850, 61.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.180 - 1.550 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.393 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.056 | 0.033 | 0.346 |
| Number of reflections | 26519 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 97.9 | 99.2 | 85.6 |
| Redundancy | 6.4 | 6.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 295 | 126mM Phosphate buffer, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, pH 6.2, temperature 295K |
