5MHL
FXIIIa in complex with the inhibitor Mi0621
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97779 |
Spacegroup name | P 1 |
Unit cell lengths | 57.213, 80.993, 103.329 |
Unit cell angles | 88.12, 76.87, 81.47 |
Refinement procedure
Resolution | 48.830 - 2.400 |
R-factor | 0.1747 |
Rwork | 0.172 |
R-free | 0.23050 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.416 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.830 | 2.540 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.352 | |
Number of reflections | 65090 | |
<I/σ(I)> | 7.36 | 2 |
Completeness [%] | 92.6 | 87.7 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 170 mM ammonium sulfate, 85 mM sodium cacodylate, 25.5 % PEG8000, 15 % glycerol |