1AFE
HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-12 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.130, 72.610, 72.650 |
| Unit cell angles | 90.00, 99.66, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.179 * |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1hah |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | CCP4 |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.000 | 2.000 * |
| Rmerge | 0.067 | |
| Total number of observations | 69658 * | |
| Number of reflections | 24141 * | |
| Completeness [%] | 97.8 * | 93.3 * |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 * | PEG 4000 15%, PH 7.0, 5X10-3 M AZALYS COMPOUND |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.0-3.7 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 0.05 (M) | |
| 3 | 1 | drop | 0.375 (M) | ||
| 4 | 1 | drop | 0.5 (mM) | ||
| 5 | 1 | reservoir | sodium phosphate | 0.1 (M) | |
| 6 | 1 | reservoir | 1-2 (mM) | ||
| 7 | 1 | reservoir | PEG8000 | 25-30 (%(v/v)) |
