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 | 2021-03-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.680, 102.650, 110.270 |
| Unit cell angles | 116.23, 101.09, 92.18 |
Refinement procedure
| Resolution | 67.799 - 2.000 |
| Rwork | 0.209 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n4c |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.317 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.799 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.115 | 1.099 |
| Rmeas | 0.136 | 1.308 |
| Number of reflections | 175661 | 8274 |
| <I/σ(I)> | 14.3 | 1.099 |
| Completeness [%] | 97.6 | 92.3 |
| Redundancy | 3.5 | |
| CC(1/2) | 1.000 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium acetate, 0.1 M Bis-Tris propane (pH 6.0-6.5) and 28% PEG 3350 |
