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 | 2018-07-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.547, 60.266, 185.147 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.570 - 1.150 |
| Rwork | 0.135 |
| R-free | 0.16120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vua |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.202 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.570 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 173797 | 84519 |
| <I/σ(I)> | 11.9 | 1.9 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 12.1 | 10 |
| CC(1/2) | 0.998 | 0.447 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M Sodium formate, 0.1 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate, 0.1 M Sodium potassium tartrate tetrahydrate, 0.1 M Sodium oxamate, 0.1 M Imidazole, 0.1 M 2-[N-morpholino]ethanesulfonic acid, pH 6.5, 10% v/v Ethylene glycol, 10% w/v PEG 8000 |
