Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2018-04-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.920, 96.930, 105.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.450 - 2.060 |
| R-factor | 0.2006 |
| Rwork | 0.199 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iag |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.965 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.459 | 2.101 |
| High resolution limit [Å] | 2.056 | 2.056 |
| Rmerge | 0.105 | |
| Number of reflections | 43743 | 2546 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.980 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | MES monohydrate PIPES hexamminecobalt(III) chloride HEPES PEG 3350 |
