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 | 2016-03-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.060, 116.080, 43.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.156 - 1.640 |
| Rwork | 0.202 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.687 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.160 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.094 | 1.912 |
| Rpim | 0.753 | |
| Number of reflections | 56957 | 4141 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291 | 0.1 M Na Cacodylate, 0.2 M NH4 SO4, 20% PEG 8000 |
