Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 40.099, 40.099, 201.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.360 - 2.210 |
| R-factor | 0.22208 |
| Rwork | 0.216 |
| R-free | 0.27817 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.448 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
| High resolution limit [Å] | 2.210 | 6.000 | 2.210 |
| Rmerge | 0.053 | 0.036 | 0.688 |
| Rmeas | 0.057 | 0.039 | 0.750 |
| Rpim | 0.018 | 0.013 | 0.289 |
| Total number of observations | 88354 | ||
| Number of reflections | 8994 | 548 | 436 |
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 99.5 | 98.2 | 99.5 |
| Redundancy | 9.8 | 8.3 | 5.9 |
| CC(1/2) | 0.998 | 0.999 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Tris-HCl 8.5, 30% PEG3350, 0.2 M MgCl2 |
