3KF0
HIV Protease with fragment 4D9 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-26 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.518, 85.910, 46.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.530 - 1.800 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Dimer generated from PDB entry 2AZ8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.064 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0090) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.530 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.064 | 0.183 |
| Number of reflections | 21597 | |
| <I/σ(I)> | 5.5 | 3.8 |
| Completeness [%] | 95.2 | 75.4 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.8 | 277 | 0.5 M KSCN, 0.1 M MES-HCL, pH 5.8, 10% DMSO, VAPOR DIFFUSION, temperature 277.0K |
