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 | 2021-03-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.084, 170.698, 224.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.826 - 1.729 |
| Rwork | 0.199 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model used not yet deposited |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.482 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.080 | 1.760 |
| High resolution limit [Å] | 1.729 | 1.729 |
| Rpim | 0.094 | |
| Number of reflections | 206370 | 10035 |
| <I/σ(I)> | 4.4 | 0.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.996 | 0.256 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.06 M magnesium chloride hexahydrate, 0.06 M calcium chloride dihydrate, 20 % v/v PEG 500 MME, 10 % w/v PEG 20000, 0.01 M tris (base); BICINE, pH 8.5 |
