1KJF
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 | 1999-07-07 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.285, 59.071, 61.813 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.820 - 2.000 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.25100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.820 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.067 |
Total number of observations | 41786 * |
Number of reflections | 12376 |
<I/σ(I)> | 9.6 |
Completeness [%] | 93.4 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | AMMONIUM SULPHATE, SODIUM PHOSPHATE, SODIUM CITRATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.5 (mg/ml) | |
2 | 1 | reservoir | phosphate | 126 (mM) | pH6.2 |
3 | 1 | reservoir | sodium citrate | 63 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 30-35 (%) |