Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.870, 70.570, 137.380 |
| Unit cell angles | 89.97, 90.01, 90.02 |
Refinement procedure
| Resolution | 49.235 - 2.689 |
| Rwork | 0.243 |
| R-free | 0.25280 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.296 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.237 | 2.760 |
| High resolution limit [Å] | 2.689 | 2.689 |
| Number of reflections | 58472 | 4412 |
| <I/σ(I)> | 9.98 | |
| Completeness [%] | 95.2 | |
| Redundancy | 20 | |
| CC(1/2) | 0.999 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 10% PEG 20 000, 25% PEG MME 550, 0.1 M MES/imidazole, pH 6.9, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium tartrate (racemic), 0.02 M sodium oxamate. |
