5JEU
del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+
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 | 2012-12-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.8266 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 48.620, 48.620, 29.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.177 - 0.970 |
R-factor | 0.1133 |
Rwork | 0.113 |
R-free | 0.12670 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 2.525 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.180 | 1.000 |
High resolution limit [Å] | 0.970 | 0.970 |
Rmerge | 0.027 | 0.857 |
Number of reflections | 20581 | |
<I/σ(I)> | 25.3 | 1.9 |
Completeness [%] | 96.7 | 97.3 |
Redundancy | 6.4 | 6.2 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1uL 4mM del-[Ru(phen)2(dppz)]2+, 1uL 2mM d(TCGGCGCCGA), 6uL of a solution containing 40mM Na-cacodylate pH 7, 12mM spermine, 80mM KCl, 20mM BaCl2, 10% (v/v) hexylene glycol |