Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-30 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.615, 99.386, 110.158 |
| Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.650 |
| R-factor | 0.22596 |
| Rwork | 0.223 |
| R-free | 0.27442 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5GYM |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.132 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.134 | 0.716 |
| Number of reflections | 27286 | 1438 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.7 | 95.8 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.706 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 20% (w/v) Polyethylene glycol 3350, 0.2M Mg(OAc)2 |
