Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-13 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.390, 75.300, 117.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.340 - 2.800 |
| R-factor | 0.19129 |
| Rwork | 0.189 |
| R-free | 0.24013 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.797 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.106 | 0.362 |
| Rmeas | 0.133 | 0.454 |
| Rpim | 0.079 | 0.270 |
| Number of reflections | 12543 | |
| <I/σ(I)> | 14.26 | |
| Completeness [%] | 98.9 | |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M sodium acetate trihydrate pH 4.0, 1,6M ammonium sulphate, 21mM ZnCl2 |
