Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.35502 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.389, 101.679, 101.916 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.210 - 2.230 |
| R-factor | 0.2446 |
| Rwork | 0.242 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kfi |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.210 | 56.210 | 2.300 |
| High resolution limit [Å] | 2.230 | 8.920 | 2.230 |
| Rmerge | 0.318 | 0.088 | 0.664 |
| Rmeas | 0.449 | 0.124 | 0.939 |
| Rpim | 0.318 | 0.088 | 0.664 |
| Total number of observations | 40531 | 1028 | 392 |
| Number of reflections | 21562 | 624 | 211 |
| <I/σ(I)> | 5.1 | 11.9 | 1.3 |
| Completeness [%] | 61.5 | 99.2 | 6.4 |
| Redundancy | 1.9 | 1.6 | 1.9 |
| CC(1/2) | 0.649 | 0.898 | 0.267 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M MES, pH 6.7, 5% DMSO, 8% PEG4000 |
