Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-10 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.9724 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.805, 64.839, 116.582 |
| Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
| Resolution | 42.965 - 1.800 |
| Rwork | 0.236 |
| R-free | 0.27560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal Model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.516 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.290 | 1.890 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.079 | 0.790 |
| Number of reflections | 107997 | 25702 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | ethylene glycol per PEG 8000, carboxylic acids mix, buffer system 2, |
