2FNS
Crystal structure of wild-type inactive (D25N) HIV-1 protease complexed with wild-type HIV-1 NC-p1 substrate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 200 |
Detector technology | IMAGE PLATE |
Collection date | 2002-12-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.060, 57.369, 61.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.000 - 1.850 |
R-factor | 0.19968 |
Rwork | 0.195 |
R-free | 0.24308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t3r |
RMSD bond length | 0.005 |
RMSD bond angle | 1.034 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.000 |
High resolution limit [Å] | 1.850 |
Rmerge | 0.056 |
Number of reflections | 14812 |
<I/σ(I)> | 8.5 |
Completeness [%] | 92.7 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 126mM Sodium phosphate pH 6.2; 63mM sodium citrate; ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |