Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.510, 66.407, 86.700 |
| Unit cell angles | 83.71, 80.83, 90.00 |
Refinement procedure
| Resolution | 49.550 - 1.750 |
| Rwork | 0.184 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zud |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.534 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.550 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.124 | 0.886 |
| Rmeas | 0.148 | 1.048 |
| Rpim | 0.110 | 0.555 |
| Number of reflections | 80700 | 4427 |
| <I/σ(I)> | 6.5 | 1.5 |
| Completeness [%] | 97.4 | 96 |
| Redundancy | 3.3 | 3.5 |
| CC(1/2) | 0.992 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 150 mM DL-Malic acid pH 7.0, 20% polyethylene glycol 3350. |
