5K0H
Human factor Xa in complex with synthetic inhibitor benzylsulfonyl-dSer(Benzyl)-Gly-4-amidinobenzylamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-10 |
Detector | MARRESEARCH |
Wavelength(s) | 1.05 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.280, 72.400, 77.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.250 - 2.200 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eqz |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Refinement software | CNX (2000.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.250 |
High resolution limit [Å] | 2.200 |
Number of reflections | 16187 |
<I/σ(I)> | 26.2 |
Completeness [%] | 98.0 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM MES, 12-18 % PEG6000, 5 mM CaCl2 |