1D4I
HIV-1 protease in complex with the inhibitor BEA425
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE D41A |
Synchrotron site | LURE |
Beamline | D41A |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1998-10-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.619, 86.315, 46.686 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.900 * - 1.810 |
R-factor | 0.092 |
Rwork | 0.191 |
R-free | 0.22400 * |
RMSD bond length | 0.006 * |
RMSD bond angle | 25.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.880 | 1.920 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.111 * | 0.249 |
Total number of observations | 95666 * | |
Number of reflections | 21735 | |
<I/σ(I)> | 7.5 | |
Completeness [%] | 97.5 | 95.6 |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 4 * | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.0 (mg/ml) | |
2 | 1 | drop | MES | 50 (mM) | pH6.5 |
3 | 1 | drop | dithiothreitol | 10 (mM) | |
4 | 1 | drop | EDTA | 1 (mM) | |
5 | 1 | reservoir | MES | 50 (mM) | pH5.5 |
6 | 1 | reservoir | 0.5 (M) |