4X1A
Lambda-[Ru(TAP)2(dppz-10,12-Me)]2+ bound to d(TCGGCGCCGA)
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-F |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.250, 42.250, 39.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.050 - 0.890 |
| R-factor | 0.09623 |
| Rwork | 0.096 |
| R-free | 0.10627 |
| Structure solution method | SAD |
| RMSD bond length | 0.040 |
| RMSD bond angle | 2.756 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.050 | 0.910 |
| High resolution limit [Å] | 0.890 | 0.890 |
| Rmerge | 0.030 | 0.723 |
| Number of reflections | 27563 | |
| <I/σ(I)> | 23.5 | 2.2 |
| Completeness [%] | 98.5 | 95.9 |
| Redundancy | 6.2 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1uL 2mM d(TCGGCGCCGA), 1ul 4mM rac-[Ru(TAP)2(dppz-10,12-Me)]2+, 6ul of a solution containing 20mM BaCl2, 80mM KCl, 12mM Spermine, 40mM Na-cacodylate pH 7, 10% v/v 2-methyl-2,4-pentanediol. Equilibrated against 1ml 35% v/v 2-methyl-2,4-pentanediol. |
