2HC0
Structure of HIV protease 6X mutant in complex with AB-2.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-01 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 43 |
| Unit cell lengths | 86.610, 86.610, 33.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.000 - 1.300 |
| R-factor | 0.1938 |
| Rwork | 0.142 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.500 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.240 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.039 | 0.438 |
| Total number of observations | 5963 | |
| Number of reflections | 32061 | |
| <I/σ(I)> | 10.1 | 1.6 |
| Completeness [%] | 92.7 | 74.1 |
| Redundancy | 1.67 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 281.16 | 0.1M Na Acetate, 3.5 NaBr, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 281.16K |
