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 | 2019-10-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.731, 166.686, 45.131 |
| Unit cell angles | 90.00, 112.34, 90.00 |
Refinement procedure
| Resolution | 83.343 - 2.370 |
| Rwork | 0.203 |
| R-free | 0.24540 |
| Structure solution method | SAD |
| RMSD bond length | 0.001 |
| RMSD bond angle | 1.001 |
| Data reduction software | XDS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.343 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Number of reflections | 24725 | 2575 |
| <I/σ(I)> | 25 | |
| Completeness [%] | 99.9 | |
| Redundancy | 23 | |
| CC(1/2) | 0.970 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M carboxylic acid, 8% MPD_P1K_P33 0.1M MOPS/HEPES-Na pH 8.0 |
