Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9536 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.132, 121.951, 124.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.640 - 2.100 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u5t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.855 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.640 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.088 | 0.409 |
| Rmeas | 0.095 | 0.443 |
| Rpim | 0.037 | 0.169 |
| Number of reflections | 72049 | 4395 |
| <I/σ(I)> | 13.2 | 4.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.870 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.1 M sodium citrate tribasic dehydrate, pH 5.6, 1.0 M ammonium phosphate monobasic |
