Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 82.341, 82.341, 79.599 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.599 - 2.951 |
| R-factor | 0.246 |
| Rwork | 0.238 |
| R-free | 0.31330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5HSB |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.312 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.600 | 3.056 |
| High resolution limit [Å] | 2.951 | 2.951 |
| Rmerge | 0.051 | 0.121 |
| Rmeas | 0.071 | |
| Number of reflections | 6154 | 591 |
| <I/σ(I)> | 9.2 | 4.77 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.996 | 0.565 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 400mM (NH4)2SO4, 27% PEG3350, 100mM NaAc pH5.5, 10mM MnCl2 |
