1DE7
INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-10 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.070, 81.260, 85.460 |
| Unit cell angles | 90.00, 101.62, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | THROMBIN CRYSTAL STRUCTURE WITH PDB ID 1AHT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 24.750 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.053 | 0.157 |
| Total number of observations | 124210 * | |
| Number of reflections | 45245 | |
| <I/σ(I)> | 22 | |
| Completeness [%] | 91.8 | 79.3 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.5 | PEG8000, SODIUM CHLORIDE, SODIUM CITRATE, pH 5.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | peptide | 10-fold molar excess in water | |
| 3 | 1 | reservoir | PEG8000 | 2 (%) | |
| 4 | 1 | reservoir | sodium chloride | 200 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 50 (mM) |
