2I0A
Crystal Structure of KB-19 complexed with wild type HIV-1 protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 200 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-30 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.769, 57.656, 61.892 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.180 - 1.800 |
R-factor | 0.16103 |
Rwork | 0.160 |
R-free | 0.18506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f7a |
RMSD bond length | 0.007 |
RMSD bond angle | 1.232 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.050 |
Number of reflections | 17942 |
<I/σ(I)> | 14.4 |
Completeness [%] | 86.6 |
Redundancy | 6.2 |
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, 27% ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |