Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.887, 127.752, 54.499 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.480 - 1.740 |
| R-factor | 0.205 |
| Rwork | 0.204 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5otz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.880 | 63.880 | 1.830 |
| High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
| Rmerge | 0.176 | 0.047 | 7.965 |
| Rmeas | 0.181 | 0.049 | 8.180 |
| Rpim | 0.041 | 0.012 | 1.849 |
| Total number of observations | 833029 | 24466 | 120541 |
| Number of reflections | 44243 | 1541 | 6326 |
| <I/σ(I)> | 11.1 | 46.4 | 0.5 |
| Completeness [%] | 99.7 | 99.1 | 99.4 |
| Redundancy | 18.8 | 15.9 | 19.1 |
| CC(1/2) | 0.999 | 0.999 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M HEPES 7.5 pH, 10 %w/v PEG 8K, 8 %v/v Ethelyene glycol |
