2RKF
HIV-1 PR resistant mutant + LPV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.961, 61.961, 84.106 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.950 - 1.800 |
| R-factor | 0.19357 |
| Rwork | 0.189 |
| R-free | 0.24795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u8g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.455 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.950 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 16825 | |
| <I/σ(I)> | 37.5 | 2.4 |
| Completeness [%] | 98.6 | 88.9 |
| Redundancy | 6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | reservoir: 0.1M MES pH 5.4, 0.5M Ammonium Sulfate; drops: 2ul protein + 1ul reservoir Cpr=8mg/ml, 5-fold molar excess of LPV , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
