1ZHM
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2001-11-14 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.100 |
Spacegroup name | I 2 3 |
Unit cell lengths | 120.052, 120.052, 120.052 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.960 - 1.960 |
Rwork | 0.170 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xx9 chain A |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.075 | 0.336 |
Number of reflections | 20831 | |
<I/σ(I)> | 36 | 6.7 |
Completeness [%] | 100 | |
Redundancy | 16 |
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 |