Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-19 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.423, 113.233, 68.457 |
| Unit cell angles | 90.00, 93.52, 90.00 |
Refinement procedure
| Resolution | 44.347 - 2.130 |
| Rwork | 0.189 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tby |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.469 |
| Data reduction software | XDS (Mar 15 2019) |
| Data scaling software | Aimless |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.350 | 2.190 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.127 | 1.950 |
| Rmeas | 0.151 | 2.306 |
| Rpim | 0.080 | 0.875 |
| Number of reflections | 46863 | 3828 |
| <I/σ(I)> | 10 | 0.9 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.998 | 0.318 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283.15 | 0.05 M imidazole, 0.05 M MES, 0.02 M DL-Glutamatic acid monohydrate, 0.02 M DL-Alanine, 0.02M Glycine, 0.02 M DL-Lysine monohydrochloride, 0.02 M DL-Serine, 12% (v/v) Glycerol, 6% (w/v) PEG4000 |
