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 |