Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 97.778, 97.500, 81.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.937 - 2.760 |
| Rwork | 0.199 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5emo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.849 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.937 | 2.860 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Number of reflections | 19107 | 1894 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 94.0 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.999 | 0.483 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.8 M ammonium sulfate, 0.1 M sodium iodide |
