8P6B
Ruthenium complex bound to an antiparallel G-quadruplex
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 | 2022-05-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.5585 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 29.131, 29.131, 143.294 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.230 - 2.500 |
| R-factor | 0.2604 |
| Rwork | 0.259 |
| R-free | 0.27270 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.758 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.760 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | |
| Rmeas | 0.064 | |
| Number of reflections | 6187 | 333 |
| <I/σ(I)> | 17.4 | 0.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 37.3 | |
| CC(1/2) | 1.000 | 0.337 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.05 M Potassium Chloride, 0.04 M Sodium Chloride, 0.02 M Sodium cacodylate trihydrate pH 5.5, 17.5% v/v MPD, 0.001 M Hexamine Cobalt(III) chloride, and 0.01 M Magnesium Chloride Hexahydrate |
