Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 229.124, 86.006, 52.620 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 34.360 - 2.200 |
| R-factor | 0.21644 |
| Rwork | 0.214 |
| R-free | 0.25261 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.913 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.000 | 35.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.960 | 2.200 |
| Rmerge | 0.066 | 0.039 | 0.953 |
| Rmeas | 0.075 | 0.043 | 1.094 |
| Rpim | 0.034 | 0.019 | 0.521 |
| Total number of observations | 219586 | ||
| Number of reflections | 49100 | 2615 | 1891 |
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 95.3 | 98.6 | 74.6 |
| Redundancy | 4.5 | 4.6 | 3.7 |
| CC(1/2) | 0.994 | 0.999 | 0.692 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.5 M Sodium Malonate, pH 6.0 |
