5IU5
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2
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 | 2014-10-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 47.780, 47.780, 33.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.786 - 1.900 |
| R-factor | 0.1996 |
| Rwork | 0.199 |
| R-free | 0.21000 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 2.046 |
| 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] | 47.780 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.034 | 0.985 |
| Number of reflections | 3067 | |
| <I/σ(I)> | 21.9 | 1.6 |
| Completeness [%] | 93.9 | 93.1 |
| Redundancy | 6.4 | 6.2 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1uL 2mM d(TCGGCICCGA) 1uL 4mM rac-RuTAP2dppz 6uL of a solution containing 20mM BaCl2, 80mM KCl, 40mM Na-cacodylate pH 7, 12mM spermine, 10% (V/V) hexylene glycol |
