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 |
