1ZSJ
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with N-(7-Carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 3 |
Unit cell lengths | 120.740, 120.740, 120.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.460 - 1.900 |
Rwork | 0.188 |
R-free | 0.20700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1zhr |
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] | 28.460 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.064 | 0.359 |
Number of reflections | 23099 | |
<I/σ(I)> | 22.5 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 |
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 |