Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-28 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.797, 62.797, 163.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.680 - 2.043 |
| Rwork | 0.237 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.613 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.100)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.680 | 2.080 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Number of reflections | 21548 | 990 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 99.7 | |
| Redundancy | 10.1 | |
| CC(1/2) | 1.000 | 0.100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% PEG 4000, 0.1 M Na MES pH 6.5, 0.2 M Mg Chloride. |
