Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 122.336, 122.336, 122.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.250 - 2.070 |
| Rwork | 0.192 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ghk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.830 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.250 | 2.190 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.043 | |
| Number of reflections | 19792 | 6525 |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 38 | |
| CC(1/2) | 0.999 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 285.15 | 0.1 M Tris-HCl pH 7.0 + 34% PEG 3350 + 200mM NaCl |
