Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-30 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.976238 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.286, 69.189, 132.070 |
| Unit cell angles | 90.00, 93.02, 90.00 |
Refinement procedure
| Resolution | 61.278 - 2.380 |
| Rwork | 0.191 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gni |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.640 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.345 | 2.470 |
| High resolution limit [Å] | 2.380 | 2.390 |
| Number of reflections | 44562 | 4645 |
| <I/σ(I)> | 10.4 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.7 | 11.4 |
| CC(1/2) | 0.999 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.22 mM TdRel-D78N protein in the buffer of 1 mM MnCl2, 25 mM Tris-HCl pH 8.0, and 200 mM NaCl was mixed 1:1 ratio with the precipitant containing 0.2 M NH4Cl and 20% PEG3350 |
