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 | 2017-08-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 85.840, 85.840, 151.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.779 - 1.300 |
| Rwork | 0.097 |
| R-free | 0.13060 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | unpublished isomorphous structure |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.180 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmeas | 0.063 | 0.707 |
| Rpim | 0.022 | 0.256 |
| Number of reflections | 129490 | 19319 |
| <I/σ(I)> | 16.6 | 2.8 |
| Completeness [%] | 93.6 | 96.4 |
| Redundancy | 8 | 7.3 |
| CC(1/2) | 0.999 | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 277 | 0.10 M sodium citrate pH 4.8, 0.2 M ammonium sulfate, 29% w/v PEG4000 |
