Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-18 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 41 |
| Unit cell lengths | 110.693, 110.693, 34.327 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.136 - 2.600 |
| R-factor | 0.2198 |
| Rwork | 0.210 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ksy |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.140 | 2.693 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.073 | 0.475 |
| Rmeas | 0.080 | 0.514 |
| Rpim | 0.032 | 0.196 |
| Number of reflections | 13223 | 1325 |
| <I/σ(I)> | 17.72 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.5 | 6.9 |
| CC(1/2) | 0.998 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium sulphate, 20% (w/v) PEG 3350 |
