Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.376, 131.542, 78.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.420 - 1.900 |
| Rwork | 0.201 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hmz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.401 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.420 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 17624 | 1122 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 99.4 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.991 | 0.312 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 10% PEG 6000, 30% PEG 300, 100 mM CaCl2, 50 mM Tris pH 7.0 + 10 mM dTDP |
