3GI4
Crystal structure of protease inhibitor, KB60 in complex 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 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.809, 58.131, 61.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.230 - 1.850 |
R-factor | 0.172 |
Rwork | 0.169 |
R-free | 0.22100 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.403 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.060 | 0.026 | 0.319 |
Number of reflections | 16121 | ||
Completeness [%] | 99.7 | 99.4 | 97.4 |
Redundancy | 6.6 | 6.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.2 | 298 | 126 mM sodium phosphate pH 6.2, 63 mM sodium citrate, 24-29% ammonium sulphate, vapor diffusion, temperature 298K |