Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.451, 46.176, 64.209 |
| Unit cell angles | 86.04, 75.19, 82.78 |
Refinement procedure
| Resolution | 31.680 - 0.980 |
| Rwork | 0.112 |
| R-free | 0.12820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.568 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.680 | 1.000 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.043 | 0.486 |
| Rpim | 0.037 | 0.486 |
| Number of reflections | 208682 | 1518 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 74.2 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.994 | 0.685 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Mg formate, 19% (v/v) PEG3350 |
