4RE7
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCIGCGCCGA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 47.830, 47.830, 32.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.821 - 2.181 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.24170 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.915 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXCD |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.830 | 2.240 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.137 | 1.122 |
Number of reflections | 2012 | |
<I/σ(I)> | 11.5 | 1.9 |
Completeness [%] | 94.1 | 93 |
Redundancy | 10.5 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1 uL 2 mM oligonucleotide (double HPLC-purified) + 1 uL 2 mM lambda-[Ru(TAP)2(dppz)]Cl2 + 6 uL 10% v/v MPD, 40 mM sodium cacodylate, pH 6.0, 12 mM spermine tetrahydrochloride, 80 mM sodium chloride, 20 mM barium chloride equilibrated against 1 mL 35% v/v MPD, VAPOR DIFFUSION, SITTING DROP, temperature 291K |