Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-11-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 65.012, 70.041, 80.572 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.650 - 2.180 |
| R-factor | 0.1753 |
| Rwork | 0.172 |
| R-free | 0.23710 |
| Structure solution method | SAD |
| Starting model (for MR) | 4jgg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3247) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.187 | 0.448 |
| Number of reflections | 19765 | 1807 |
| <I/σ(I)> | 12.33 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 250mM Calcium acetate, 100mM imidazole, pH 8.5, 5% PEG 1000, 3% 1,6-Hexanediol |
