9H3C
De novo designed alpha helical toroidal protein with a Ru-cofactor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 91.276, 91.276, 123.948 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.500 - 2.900 |
| R-factor | 0.22084 |
| Rwork | 0.218 |
| R-free | 0.26848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.811 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.500 | 3.004 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.147 | 4.436 |
| Rmeas | 0.150 | 4.525 |
| Rpim | 0.029 | 0.887 |
| Number of reflections | 5750 | 598 |
| <I/σ(I)> | 15.06 | 0.63 |
| Completeness [%] | 93.8 | 99 |
| Redundancy | 25.7 | 25.7 |
| CC(1/2) | 1.000 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Na Acet 5 pH, 2 M Na Form |
