2NXL
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLU-VAL-PHE*TYR-VAL-ASP-GLY-ALA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 200 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-11 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.861, 57.500, 61.887 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.110 - 2.000 |
R-factor | 0.16307 |
Rwork | 0.160 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1T3R = Crystal structure of HIV- 1 protease complexed with the inhibitor TMC114 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.455 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.110 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.071 |
Number of reflections | 12332 |
<I/σ(I)> | 12.5 |
Completeness [%] | 95.8 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 126 mM sodium phosphate pH 6.2; 63mM sodium citrate; 25-35% Ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |