1ZTL
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 3 |
Unit cell lengths | 121.965, 121.965, 121.965 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.750 - 2.600 |
Rwork | 0.208 |
R-free | 0.23700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1zhr |
RMSD bond length | 0.007 |
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] | 28.750 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.120 | 0.366 |
Number of reflections | 9444 | |
<I/σ(I)> | 14.4 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 283 | ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |