2ZFP
Thrombin Inibition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2007-12-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.500, 71.300, 72.900 |
Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.250 |
R-factor | 0.18 |
Rwork | 0.176 |
R-free | 0.29820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h8d |
RMSD bond length | 0.005 |
RMSD bond angle | 0.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 15884 | |
<I/σ(I)> | 12.1 | 2.8 |
Completeness [%] | 93.8 | 90.3 |
Redundancy | 2.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |