Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-07 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 27.000, 76.910, 81.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.975 - 1.540 |
| Rwork | 0.205 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nfq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.748 |
| Data reduction software | XDS (VERSION Jan 31, 2020) |
| Data scaling software | XSCALE (VERSION Jan 31, 2020) |
| Phasing software | MOLREP (Vers 11.7.03; 13.07.2020) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmeas | 0.010 | 0.175 |
| Number of reflections | 13059 | 1822 |
| <I/σ(I)> | 10.11 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.47 | |
| CC(1/2) | 0.998 | 0.525 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 2.52 M ammonium phosphate dibasic, 0.09 M Tris, 3% (w/v) D-sorbitol |
