Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.953721724543 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.190, 115.460, 132.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.540 - 1.800 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.069 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (Version 1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.095 | 1.022 |
| Number of reflections | 80499 | 7959 |
| <I/σ(I)> | 19.04 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.9 | |
| CC(1/2) | 0.999 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.02 M DL-glutamic acid monohydrate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine monohydrochloride, 0.02 M DL-serine, 0.061 M Tris HCl, 0.039 M Bicine, pH 8.5, 20% v/v PEG 500 MME, 10% w/v PEG 20000 (Morpheus H9) |
