Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-13 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 52.790, 52.790, 108.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.650 - 2.000 |
| R-factor | 0.20432 |
| Rwork | 0.200 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.836 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.650 | 19.650 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.950 | 2.000 |
| Rmerge | 0.055 | 0.027 | 0.637 |
| Rmeas | 0.065 | 0.030 | 0.797 |
| Rpim | 0.033 | 0.014 | 0.472 |
| Total number of observations | 40044 | 586 | 2350 |
| Number of reflections | 12244 | 146 | 910 |
| <I/σ(I)> | 11 | 34.5 | 1.7 |
| Completeness [%] | 98.8 | 87.8 | 99.3 |
| Redundancy | 3.3 | 4 | 2.6 |
| CC(1/2) | 0.999 | 0.999 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.4 M ammonium sulfate in 0.5 M Tris-HCl pH 8.0 |
