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 | 2021-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.430, 63.940, 65.970 |
| Unit cell angles | 64.80, 70.29, 68.18 |
Refinement procedure
| Resolution | 43.758 - 1.500 |
| Rwork | 0.159 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.069 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.760 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 118545 | 11721 |
| <I/σ(I)> | 15.3 | |
| Completeness [%] | 96.1 | |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 1.000 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | (30 mM sodium nitrate, 30 mM sodium phosphate, 30 mM ammonium sulfate, 100 mM HEPES/MOPS pH 7.5, 12.5% (w/v) PEG1000 and 12.5% (w/v) PEG3350), P21 (30 mM magnesium chloride, 30 mM calcium chloride, 100 mM HEPES/MOPS pH 7.5, 12.5% (w/v) PEG1000 and 12.5% (w/v) PEG3350) |
