8CMM
ruthenium polypyridyl complexes bound to DNA mismatch oligonucleotide
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 | 2023-01-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.8260 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 31.395, 48.645, 54.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.200 - 0.900 |
| R-factor | 0.1687 |
| Rwork | 0.168 |
| R-free | 0.18950 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.502 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.200 | 0.920 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.044 | 2.061 |
| Rmeas | 0.046 | 2.233 |
| Rpim | 0.013 | 0.834 |
| Total number of observations | 4660 | |
| Number of reflections | 28800 | 718 |
| <I/σ(I)> | 19 | 0.3 |
| Completeness [%] | 92.5 | |
| Redundancy | 12.1 | 6.5 |
| CC(1/2) | 0.999 | 0.294 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.01M MgCl2 hexahydrate, 0.05M HEPES sodium, and 4M LiCl |
