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) | 1.355 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.648, 101.186, 102.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.890 - 2.200 |
| R-factor | 0.2199 |
| Rwork | 0.217 |
| R-free | 0.26100 |
| 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] | 101.190 | 101.190 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.144 | 0.079 | 0.949 |
| Rmeas | 0.159 | 0.087 | 1.040 |
| Rpim | 0.065 | 0.036 | 0.417 |
| Total number of observations | 209612 | 3335 | 12129 |
| Number of reflections | 35165 | 602 | 2036 |
| <I/σ(I)> | 6.6 | 15.2 | 1.5 |
| Completeness [%] | 96.8 | 99.2 | 65.4 |
| Redundancy | 6 | 5.5 | 6 |
| CC(1/2) | 0.987 | 0.980 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M MES, pH 6.7, 5% DMSO, 8% PEG4000 |
