3QF8
X-ray crystal structure of the ruthenium complex [Ru(tap)2(dppz)]2+ bound to d(TCGGCGCCGA) at medium resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2011-01-13 |
| Detector | OXFORD SAPPHIRE CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.239, 42.239, 39.379 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.963 - 1.730 |
| R-factor | 0.1844 |
| Rwork | 0.182 |
| R-free | 0.23313 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.722 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.870 | 1.880 |
| High resolution limit [Å] | 1.723 | 1.720 |
| Number of reflections | 3309 | |
| Completeness [%] | 44.0 | 38.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 10% MPD, 40mM Sodium cacodylate, 12mM Spermine hydrochloride, 80mM Sodium chloride, 20mM Barium chloride, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
