Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.640, 76.440, 147.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.443 - 2.500 |
| Rwork | 0.248 |
| R-free | 0.28020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nob |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.165 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 16930 | 1255 |
| <I/σ(I)> | 10.64 | |
| Completeness [%] | 99.3 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.998 | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297.15 | PEG6000, Bicine, pH = 8.5 |
