1D4K
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-08-17 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.820, 58.920, 61.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.850 |
R-factor | 0.212 |
Rwork | 0.212 |
R-free | 0.25900 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.160 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.051 | 0.277 |
Total number of observations | 51287 * | |
Number of reflections | 15546 * | |
<I/σ(I)> | 12 | |
Completeness [%] | 92.7 | 87.9 |
Redundancy | 3.56 | 8.19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 20 * | inhibitor:protein molar ratio is 10:1 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | inhibitor | in DMSO | |
3 | 1 | reservoir | acetate | 0.1 (M) | |
4 | 1 | reservoir | ammonium sulfate | 35-60 (%sat) |