Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2022-11-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 47.160, 47.160, 143.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.350 - 1.115 |
| Rwork | 0.174 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.002 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.350 | 1.154 |
| High resolution limit [Å] | 1.115 | 1.115 |
| Rmeas | 0.024 | 0.358 |
| Number of reflections | 63633 | 5823 |
| <I/σ(I)> | 14.67 | 2.5 |
| Completeness [%] | 98.9 | 92.21 |
| Redundancy | 2 | 2 |
| CC(1/2) | 1.000 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.4M Sodium Malonate dibasic monohydrate pH 6.0. |
