3I7E
Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-09-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.850, 59.000, 62.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.052 | 0.396 |
Number of reflections | 20809 | |
<I/σ(I)> | 17.8 | 2.84 |
Completeness [%] | 95.5 | 92.4 |
Redundancy | 2.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | The reservoir contained 20% (NH4)2SO4, 200 mM NaPO4/citric acid buffer, pH 5.5. The well solutions also included 10% dimethyl sulfoxide, 30 mM -mercaptoethanol, and 4% isopropanol. , VAPOR DIFFUSION, HANGING DROP, temperature 298K |