Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-07 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.660, 134.870, 144.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.400 - 1.760 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7 PACIOREK) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.400 | 1.785 |
| High resolution limit [Å] | 1.755 | 1.755 |
| Rmerge | 0.053 | 0.757 |
| Rmeas | 0.058 | 0.829 |
| Rpim | 0.023 | 0.334 |
| Total number of observations | 27678 | |
| Number of reflections | 91988 | 4583 |
| <I/σ(I)> | 16.3 | 2.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 13-18% PEG3350 and 0.2-0.35M Ammonium Citrate |
