3GI5
Crystal structure of protease inhibitor, KB62 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 | 50.831, 58.342, 61.629 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.300 - 1.800 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.19400 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.356 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.056 | 0.033 | 0.339 |
Number of reflections | 17324 | ||
Completeness [%] | 98.4 | 99.2 | 86.1 |
Redundancy | 6 | 6.1 | 3.5 |
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 |