1FB7
CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1997-05-10 |
Detector | SIEMENS |
Spacegroup name | I 21 3 |
Unit cell lengths | 111.050, 111.050, 111.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.600 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.24300 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.700 |
Data reduction software | SADIE |
Data scaling software | SAINT |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 8.000 |
High resolution limit [Å] | 2.600 |
Rmerge | 0.077 |
Number of reflections | 7138 |
<I/σ(I)> | 10 |
Completeness [%] | 99.7 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.8 | 293 | 16% ammonium sulfate, 200 mM sodium phosphate/citric acid, 10% dimethyl sulfoxide, 30mM beta-mercaptoethanol., pH 5.8, VAPOR DIFFUSION, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium phosphate/citric acid | 200 (mM) | |
2 | 1 | reservoir | dimethyl sulfoxide | 10 (%) | |
3 | 1 | reservoir | beta-mercaptoethanol | 30 (mM) | |
4 | 1 | reservoir | isopropanol | 4 (%) | |
5 | 1 | reservoir | ammonium sulfate | 16 (%sat) |