Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.380, 113.720, 83.710 |
| Unit cell angles | 90.00, 127.27, 90.00 |
Refinement procedure
| Resolution | 28.760 - 2.480 |
| R-factor | 0.18949 |
| Rwork | 0.188 |
| R-free | 0.22756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p9w |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.851 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.760 | 2.540 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.062 | 0.547 |
| Rmeas | 0.068 | 0.631 |
| Rpim | 0.027 | 0.306 |
| Total number of observations | 9200 | |
| Number of reflections | 30883 | 2220 |
| <I/σ(I)> | 18 | 3.1 |
| Completeness [%] | 99.6 | |
| Redundancy | 5.8 | 4.1 |
| CC(1/2) | 0.998 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | buffer: 20 mM HEPES, 5 mM CaCl2, 5 mM MnCl2; pH = 7.2, precipitant: Ammonium phosphate |
