2P3B
Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-02-01 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 61 |
Unit cell lengths | 63.164, 63.164, 83.414 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.580 - 2.100 |
R-factor | 0.165 |
Rwork | 0.159 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Crystal Structure of the multi-drug resistant mutant subtype B HIV protease complexed with TL-3 inhibitor |
RMSD bond length | 0.015 |
RMSD bond angle | 1.575 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.720 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.075 | 0.414 |
Number of reflections | 11047 | |
<I/σ(I)> | 13.6 | 2.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 15% saturated ammonium sulfate solution, 6% (v/v) MPD, 85mM sodium citrate/170mM sodium phosphate, 0.02% sodium azide, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |