1GNN
HIV-1 PROTEASE MUTANT WITH VAL 82 REPLACED BY ASN (V82N) COMPLEXED WITH U89360E (INHIBITOR)
Experimental procedure
Source type | ROTATING ANODE |
Source details | SIEMENS |
Detector technology | AREA DETECTOR |
Detector | SIEMENS |
Spacegroup name | P 61 |
Unit cell lengths | 63.260, 63.260, 83.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 2.300 |
R-factor | 0.183 * |
Rwork | 0.183 |
RMSD bond length | 0.014 |
RMSD bond angle | 0.053 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | CCP4 |
Refinement software | PROLSQ |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.300 |
Rmerge | 0.038 |
Completeness [%] | 97.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.8 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | inhibitor | 5.0 (mg/ml) | |
2 | 1 | drop | dithiothreitol | 1 (mM) | |
3 | 1 | drop | sodium acetate | 20 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 38 (%) | |
5 | 1 | reservoir | dimethyl sulfoxide | 10 (%) | |
6 | 1 | reservoir | beta-mercaptoethanol | 30 (mM) | |
7 | 1 | reservoir | 2-propanol | 4 (%) | |
8 | 1 | reservoir | sodium phosphate/citric acid | 200 (mM) |