5MHN
FXIIIa in complex with the inhibitor ZED2360
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 |
Unit cell lengths | 56.608, 80.513, 103.108 |
Unit cell angles | 87.98, 77.01, 82.26 |
Refinement procedure
Resolution | 48.120 - 2.480 |
R-factor | 0.1825 |
Rwork | 0.180 |
R-free | 0.23800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4kty |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.120 | 2.630 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.469 | |
Number of reflections | 60898 | |
<I/σ(I)> | 9.83 | 2 |
Completeness [%] | 97.4 | 96.1 |
Redundancy | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 170 mM ammonium sulfate, 85 mM sodium cacodylate, 25.5 % PEG8000, 15 % glycerol |