2AZ8
HIV-1 Protease NL4-3 in complex with inhibitor, TL-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-02-07 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 62.608, 62.608, 81.928 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.200 - 2.000 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.820 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.210 | 2.130 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.071 | 0.365 |
Number of reflections | 9295 | |
<I/σ(I)> | 15.9 | 4.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.2 | 297.16 | ammonium sulfate, sodium acetate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 297.16K, pH 5.20 |