8CE2
X-ray structure of the adduct formed upon reaction of a B-DNA double helical dodecamer with dirhodium tetraacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.530, 40.310, 65.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.360 - 1.240 |
| Rwork | 0.197 |
| R-free | 0.22270 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 3.073 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.360 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Number of reflections | 19898 | 996 |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.8 | 8.4 |
| CC(1/2) | 0.999 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 7% (v/v) 2-methyl-2,4-pentanediol, 20 mM MgCl2, 80 mM spermine tetrahydrochloride, and 60 mM sodium cacodylate at pH 6.5 |
