Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.318, 91.318, 77.391 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 79.084 - 3.000 |
| Rwork | 0.225 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.019 |
| Data reduction software | XDS (20220110) |
| Data scaling software | XDS (20220110) |
| Phasing software | PHASER (5.8.0267) |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.084 | 2.630 |
| High resolution limit [Å] | 2.528 | 2.530 |
| Number of reflections | 6814 | 43 |
| <I/σ(I)> | 10.4 | 1.5 |
| Completeness [%] | 99.9 | 2.8 |
| Redundancy | 2.21 | 0.9 |
| CC(1/2) | 0.980 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.2 M Potassium chloride, 0.1 M Sodium citrate pH 5.5, 37 % v/v Pentaerythritol propoxylate (PO/OH). |
