1A2C
Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-03 |
| Detector | RIGAKU |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.970, 72.480, 72.240 |
| Unit cell angles | 90.00, 100.93, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.100 |
| R-factor | 0.15 * |
| Rwork | 0.150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hgt |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.040 |
| Data reduction software | RIGAKU |
| Data scaling software | RIGAKU |
| Phasing software | X-PLOR |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.250 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.082 | 0.180 |
| Number of reflections | 15999 | |
| <I/σ(I)> | 8 | 2.4 |
| Completeness [%] | 70.0 | 47 |
| Redundancy | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 | pH 7.3 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | thrombin | 1.75 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 0.05 (M) | |
| 3 | 1 | drop | sodium azide | 0.5 (mM) | |
| 4 | 1 | drop | PEG8000 | 12.5 (%(w/v)) | |
| 5 | 1 | reservoir | sodium phosphate | 0.1 (M) | |
| 6 | 1 | reservoir | sodium azide | 1 (mM) | |
| 7 | 1 | reservoir | PEG8000 | 25 (%(w/v)) |
