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 | 2020-09-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | I 41 |
| Unit cell lengths | 80.060, 80.060, 89.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.062 - 2.150 |
| Rwork | 0.215 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nfq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.644 |
| Data reduction software | XDS (v. Jan 31, 2020) |
| Data scaling software | XSCALE (v. Jan 31, 2020) |
| Phasing software | MOLREP (Vers 11.6.03; 30.04.2018) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 15379 | 1136 |
| <I/σ(I)> | 18.69 | |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 13.7 | 13 |
| CC(1/2) | 1.000 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.5 M ammonium sulphate, 0.1 M sodium acetate |
