1AJV
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006
Experimental procedure
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 278 |
Detector technology | IMAGE PLATE |
Collection date | 1995-05 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.000, 85.800, 46.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4phv |
RMSD bond length | 0.010 |
RMSD bond angle | 25.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.041 | 0.088 |
Total number of observations | 73708 * | |
Number of reflections | 14846 | |
Completeness [%] | 91.7 | 80 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 4 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protease | 2 (mg/ml) | |
2 | 1 | drop | inhibitor | 40 (mM) | in DMSO |
3 | 1 | reservoir | MES | 50 (mM) | |
4 | 1 | reservoir | 0.4 (M) | ||
5 | 1 | reservoir | 0.02 (%(w/v)) |