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 |