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 | 2012-10-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.7712 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 66.900, 66.900, 36.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.900 - 1.850 |
| R-factor | 0.17284 |
| Rwork | 0.171 |
| R-free | 0.19224 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.565 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.900 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.069 | 0.148 |
| Number of reflections | 4297 | |
| <I/σ(I)> | 13.7 | 2.1 |
| Completeness [%] | 98.1 | 86.4 |
| Redundancy | 7.3 | 2 |
| CC(1/2) | 0.998 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1uL 4mM Lambda-[Ru(bpy)2(dppz)]2+, 1uL 2mM oligonucleotide (single stranded), 6uL 40mM Na-cacodylate, 12mM spermine, 20mM BaCl2, 80mM KCl, 10% MPD. Equilibrated against 35% MPD. |
