3OQ7
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2004-03-11 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 45.534, 45.534, 101.926 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.230 - 1.710 |
R-factor | 0.19646 |
Rwork | 0.195 |
R-free | 0.22337 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tw7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.378 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.230 | 1.800 |
High resolution limit [Å] | 1.710 | 1.710 |
Number of reflections | 11367 | |
<I/σ(I)> | 2.5 | |
Completeness [%] | 100 | |
Redundancy | 5.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.3-1.0M sodium chloride in the pH range 5.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |