5FIV
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1997-11 |
Detector | SIEMENS HI-STAR |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 50.750, 50.750, 73.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.900 |
R-factor | 0.164 * |
R-free | 0.23900 * |
Structure solution method | OTHER |
RMSD bond length | 0.006 |
RMSD bond angle | 0.023 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | X-PLOR |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.049 * | 0.265 |
Number of reflections | 9489 | |
<I/σ(I)> | 2.91 | |
Completeness [%] | 95.3 | 64.7 |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * | 4 * | SAMPLE: 3.4MG/ML V59I IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | TL-3 | 7 (mg/ml) | |
2 | 1 | drop | imidazole-HCl | 50 (mM) | |
3 | 1 | drop | EDTA | 1 (mM) | |
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | drop | ammonium sulfate | 2 (M) | |
6 | 1 | drop | sodium acetate | 0.1 (M) | |
7 | 1 | reservoir | ammonium sulfate | 2 (M) | |
8 | 1 | reservoir | sodium acetate | 0.1 (M) |