Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 208.910, 445.910, 617.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.170 - 3.640 |
| R-factor | 0.2098 |
| Rwork | 0.208 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y4o |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.170 | 49.170 | 3.730 |
| High resolution limit [Å] | 3.640 | 16.280 | 3.640 |
| Rmerge | 0.240 | 0.082 | 1.333 |
| Rmeas | 0.268 | 0.092 | 1.496 |
| Total number of observations | 2998183 | ||
| Number of reflections | 596344 | 6729 | 40849 |
| <I/σ(I)> | 4.77 | 13.69 | 1.1 |
| Completeness [%] | 93.3 | 87.4 | 86.9 |
| Redundancy | 5.028 | 4.83 | 4.174 |
| CC(1/2) | 0.985 | 0.982 | 0.376 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M Tris-HOAc, pH 7.0, 0.2 M KSCN, 4.5-5.5% (v/v) PEG 20K, 4.5-5.5% (v/v) PEG 550MME, 10 mM Mg(OAc)2, 0.0028 mM Deoxy BigCHAP |
