Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-10-29 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 206.030, 57.614, 65.694 |
| Unit cell angles | 90.00, 107.19, 90.00 |
Refinement procedure
| Resolution | 49.256 - 2.939 |
| Rwork | 0.213 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.914 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.256 | 3.040 |
| High resolution limit [Å] | 2.939 | 2.939 |
| Rmerge | 0.141 | 0.630 |
| Rmeas | 0.160 | 0.782 |
| Rpim | 0.074 | 0.454 |
| Number of reflections | 15930 | 1551 |
| <I/σ(I)> | 7.9 | 1.4 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 4.5 | 2.8 |
| CC(1/2) | 0.988 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 25%P8K, 25% EG, 0.25M AS, 0.1MPCTP pH7.5 |
