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 | 2021-02-18 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.902, 152.580, 146.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.290 - 1.900 |
| Rwork | 0.217 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a81 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.485 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 146.820 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.166 | 4.548 |
| Rmeas | 0.173 | 4.744 |
| Rpim | 0.043 | 1.343 |
| Number of reflections | 76088 | 4468 |
| <I/σ(I)> | 10.7 | 0.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26.4 | 24.7 |
| CC(1/2) | 0.998 | 0.559 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM, potassium thiocyanate, 12.5% glycerol, 23% PEG3350 |
