1BCU
ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1994-05 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.150, 72.250, 72.670 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hgt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 23.900 * |
| Data reduction software | CCP4 |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.158 |
| Total number of observations | 56491 * | |
| Number of reflections | 24042 * | |
| <I/σ(I)> | 11.8 | 4.3 |
| Completeness [%] | 98.1 | 94.9 * |
| Redundancy | 2.3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 18 * | used to seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | thrombin-hirugen | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 0.05 (M) | |
| 3 | 1 | drop | 0.25 (M) | ||
| 4 | 1 | drop | PEG4000 | 10-12 (%(w/v)) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | |
| 6 | 1 | reservoir | 0.2 (M) | ||
| 7 | 1 | reservoir | PEG4000 | 20-24 (%) |
