Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.854, 74.588, 68.290 |
| Unit cell angles | 90.00, 102.54, 90.00 |
Refinement procedure
| Resolution | 66.660 - 1.390 |
| R-factor | 0.15546 |
| Rwork | 0.154 |
| R-free | 0.18266 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.524 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.660 | 1.549 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmeas | 0.062 | 0.860 |
| Number of reflections | 67581 | 3478 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 92.4 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M KSCN 25% PEG 3350 |
