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 | 2021-07-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.905, 61.067, 67.269 |
| Unit cell angles | 90.00, 99.15, 90.00 |
Refinement procedure
| Resolution | 44.993 - 2.253 |
| Rwork | 0.252 |
| R-free | 0.32510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.720 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.993 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 14735 | 913 |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 86.2 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.970 | 0.449 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291.15 | 30% PEG 10000, 0.1 M TRIS HCl pH 8.5 |
