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 |
