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 | 2018-10-11 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.070, 285.865, 91.936 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.442 - 1.590 |
| Rwork | 0.215 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.587 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 142.930 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.147 | 6.202 |
| Rpim | 0.055 | 2.348 |
| Number of reflections | 193710 | 9517 |
| <I/σ(I)> | 7.2 | 0.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.9 | 7.9 |
| CC(1/2) | 0.998 | 0.676 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 1.1 M (NH4)2SO4, 0.19 M guanidine HCl, 0.04 M KCl, 0.1 M Na acetate, pH 4.6 |
