4DT7
Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-07-28 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.395, 84.272, 66.363 |
Unit cell angles | 90.00, 94.59, 90.00 |
Refinement procedure
Resolution | 35.700 - 1.900 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.21773 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.249 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (from ccp4) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.140 | 1.930 |
High resolution limit [Å] | 1.900 | 2.090 | 1.900 |
Number of reflections | 38884 | ||
<I/σ(I)> | 13.4 | 5.6 | 2.4 |
Completeness [%] | 97.8 | 98.7 | 81.1 |
Redundancy | 3.6 | 3.2 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1 M Tris, pH 8.5, 0.2 M Na acetate, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |