Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97959 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.205, 79.205, 137.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.688 - 1.350 |
| Rwork | 0.211 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.247 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | DIMPLE |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.960 | 68.960 | 1.370 |
| High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
| Rmerge | 0.055 | 0.031 | 3.900 |
| Rmeas | 0.058 | 0.033 | 4.317 |
| Rpim | 0.017 | 0.010 | 1.813 |
| Number of reflections | 56615 | 438 | 2667 |
| <I/σ(I)> | 22.9 | ||
| Completeness [%] | 99.7 | ||
| Redundancy | 19.8 | 16 | 10.3 |
| CC(1/2) | 1.000 | 0.998 | 0.204 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M HEPES pH 7.0, 2.4 AmSO4, ATAD2~5 mg mL-1. |
