1ZHR
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2003-03-24 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 3 |
Unit cell lengths | 120.746, 120.746, 120.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.460 - 1.730 |
Rwork | 0.183 |
R-free | 0.20200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1zhm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX (2002) |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.790 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.038 | 0.339 |
Number of reflections | 30534 | |
<I/σ(I)> | 32.2 | 3.7 |
Completeness [%] | 99.9 | |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 283 | Ammonium Sulfate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |