4M3I
X-ray crystal structure of the ruthenium complex [Ru(TAP)2(dppz-{Me2})]2+ bound to d(CCGGTACCGG)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.03320 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 53.279, 53.279, 33.709 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.670 - 2.100 |
R-factor | 0.25266 |
Rwork | 0.251 |
R-free | 0.27743 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.939 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELXS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 53.280 |
High resolution limit [Å] | 2.100 |
Number of reflections | 3114 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10ul drop containing 1ul of 4mM-[Ru(TAP)2(dppz-{Me2})]2+, 1ul of 1 mM d(CCGGTACCGG)2, and a 8ul addition containing 12mM spermine, 10% 2-methyl-2,4-pentanediol, 40mM sodium cacodylate pH 7.0, 80mM NaCl and 20mM BaCl2. This was equilibrated against 1ml of 35% 2-methyl-,4-pantanediol. , VAPOR DIFFUSION, SITTING DROP, temperature 293K |