8PIP
DNA triplex structure with Polypyridyl Ruthenium Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-01 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 37.464, 86.151, 87.852 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.340 - 2.000 |
| R-factor | 0.2309 |
| Rwork | 0.229 |
| R-free | 0.25850 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.814 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.340 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.190 | 3.620 |
| Rpim | 0.043 | 0.940 |
| Number of reflections | 9970 | 717 |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 40.3 | |
| CC(1/2) | 0.990 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.16 | 278 | A solution containing 20mM Na-cacodylate, 10mM MgCl2, 1.6mM DNA, 1.6mM rac-[Ru(phen)2(dppz)].2Cl was mixed in a 1:1 ratio with a solution containing 1.8mM LiSO4, 50mM tris-HCL pH 7.16, 1.4mM CuCl2 and 0.6mM spermine. Total drop volume was 400nL |
