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) |