Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.252, 84.398, 63.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.124 - 1.300 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.19730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pwe |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.835 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.200 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmeas | 0.050 | 1.068 |
| Rpim | 0.019 | 0.393 |
| Number of reflections | 57811 | 2820 |
| <I/σ(I)> | 20.8 | 2.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.2 | |
| CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Disodium malonate, 0.1 M NaOAc pH 4.6 |
