1KJH
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-01-25 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.731, 59.083, 61.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.850 - 2.000 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.22700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.006 |
RMSD bond angle | 2.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.850 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.069 |
Number of reflections | 12905 |
<I/σ(I)> | 8.5 |
Completeness [%] | 97.5 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | AMMONIUM SULPHATE, SODIUM CITRATE, SODIUM PHOSPHATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |