5MHM
FXIIIa in complex with the inhibitor ZED1630
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 | CCD |
Collection date | 2012-11-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 |
Unit cell lengths | 56.912, 80.715, 103.190 |
Unit cell angles | 88.44, 76.60, 81.79 |
Refinement procedure
Resolution | 24.880 - 2.120 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.21300 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.043 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.170 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.040 | |
Number of reflections | 97508 | |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 97.1 | 94.1 |
Redundancy | 2.2 | 2.1 |
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 |