4QGI
X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5148 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.952, 67.168, 93.503 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.272 - 1.896 |
R-factor | 0.1901 |
Rwork | 0.187 |
R-free | 0.24570 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.159 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.280 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Number of reflections | 14599 | ||
Completeness [%] | 96.5 | 91.9 | 94.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1 M Sodium citrate, 20% 2-propanol, 20% PEG 4000 , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |