Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 132.940, 132.940, 88.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.320 - 1.950 |
| R-factor | 0.1931 |
| Rwork | 0.192 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nda |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.709 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.320 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 34278 | 889221 |
| <I/σ(I)> | 0.1345 | |
| Completeness [%] | 99.9 | |
| Redundancy | 1.573 | |
| CC(1/2) | 0.998 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | potassium thiocyanate, sodium cacodylate, PGA |
