2V3O
Thrombin with 3-cycle with F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-11-15 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.610, 71.820, 72.280 |
Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
Resolution | 71.070 - 1.790 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.21200 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.437 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.080 | 0.330 |
Number of reflections | 29953 | |
<I/σ(I)> | 25.6 | 8.3 |
Completeness [%] | 87.5 | 78.7 |
Redundancy | 2.58 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |