Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRUS |
| 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 | 67.783, 102.069, 102.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.570 - 2.790 |
| R-factor | 0.2099 |
| Rwork | 0.205 |
| R-free | 0.25270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kfi |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.570 | 56.570 | 2.940 |
| High resolution limit [Å] | 2.790 | 8.810 | 2.790 |
| Rmerge | 0.198 | 0.048 | 0.971 |
| Rmeas | 0.216 | 0.052 | 1.051 |
| Rpim | 0.084 | 0.021 | 0.399 |
| Total number of observations | 108405 | 3923 | 17723 |
| Number of reflections | 16983 | 668 | 2621 |
| <I/σ(I)> | 9.1 | 24.8 | 2.4 |
| Completeness [%] | 92.1 | 99.8 | 99.7 |
| Redundancy | 6.4 | 5.9 | 6.8 |
| CC(1/2) | 0.991 | 0.999 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M MES, pH 6.7, 5% DMSO, 8% PEG4000 |
