Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.946, 53.450, 45.338 |
| Unit cell angles | 90.00, 100.24, 90.00 |
Refinement procedure
| Resolution | 48.400 - 2.570 |
| R-factor | 0.1937 |
| Rwork | 0.189 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.617 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.260 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.159 | 2.354 |
| Rpim | 0.068 | 0.991 |
| Number of reflections | 10615 | 1092 |
| <I/σ(I)> | 8.5 | 0.7 |
| Completeness [%] | 98.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.994 | 0.335 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291.15 | 5%(w/v) PEG 20K, 25%(w/v) 1,1,1-tris(hydroxymethyl)propane, 1%(w/v) NDSB 195 0.01 M of each Polyamine 0.1 M GlyGly/AMPD |
