5LS8
Light-activated ruthenium complex bound to a DNA quadruplex
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 | 2016-07-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.65324 |
| Spacegroup name | P 65 |
| Unit cell lengths | 36.625, 36.625, 136.104 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.719 - 1.780 |
| R-factor | 0.215 |
| Rwork | 0.214 |
| R-free | 0.23300 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.419 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | SHELXDE |
| Refinement software | PHENIX ((dev_2450: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.050 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.070 | 1.211 |
| Number of reflections | 9958 | |
| <I/σ(I)> | 27.7 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 37.4 | 26 |
| CC(1/2) | 1.000 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 125uM ss DNA, 10mM KCl, 250uM rac-Ru(TAP)2(dppz-11-CN).Cl2, 0.1 M KCl + 0.0125 M MgSO4.6H2O + 0.025 M TRIS hydrochloride pH 7.5, 5% v/v peg monomethyl ether 550 |
