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 | 2020-11-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.32363 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.624, 79.331, 62.805 |
| Unit cell angles | 90.00, 106.47, 90.00 |
Refinement procedure
| Resolution | 60.230 - 2.800 |
| R-factor | 0.2049 |
| Rwork | 0.199 |
| R-free | 0.25540 |
| 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 | Outer shell | |
| Low resolution limit [Å] | 60.230 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.279 | 1.306 |
| Rmeas | 0.327 | 1.557 |
| Rpim | 0.167 | 0.833 |
| Number of reflections | 13665 | 1976 |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.7 | 3.3 |
| CC(1/2) | 0.955 | 0.379 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M phosphate/citrate, pH 5.5, 20% v/v PEG Smear High (BCS Screen A08) |
