1B6L
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 289 |
Detector technology | IMAGE PLATE |
Collection date | 1995-06-01 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.250, 59.190, 61.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.750 |
Rwork | 0.202 |
R-free | 0.22600 |
Structure solution method | OTHER |
Starting model (for MR) | 1cpi |
RMSD bond length | 0.006 |
RMSD bond angle | 26.700 * |
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 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.079 * | 0.272 * |
Total number of observations | 54139 * | |
Number of reflections | 17359 | |
<I/σ(I)> | 9.6 | 2.5 |
Completeness [%] | 88.1 * | 50 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.5 | the enzyme/inhibitor solution was mixed in a 1:1 ratio with precipitant solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | inhibitor | 5-15 (mg/ml) | |
3 | 1 | reservoir | ammonium sulfate | 30-60 (%sat) | precipitant |
4 | 1 | reservoir | acetate | 0.1 (M) | precipitant |