Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-17 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00767 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.355, 85.682, 74.538 |
| Unit cell angles | 90.00, 99.76, 90.00 |
Refinement procedure
| Resolution | 46.667 - 1.652 |
| Rwork | 0.186 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5inj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.442 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (7.1.001) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.100 | 1.000 |
| Number of reflections | 78991 | 12658 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.990 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 200 mM Calcium acetate, 26% PEG 3350 |
