6RNL
L-[Ru(TAP)2(dppz)]2+ bound to the G-quadruplex forming sequence d(TAGGGTT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.5570 |
Spacegroup name | P 65 |
Unit cell lengths | 38.514, 38.514, 128.804 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.289 - 1.880 |
R-factor | 0.1885 |
Rwork | 0.187 |
R-free | 0.21450 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 2.287 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | SHELXDE |
Refinement software | PHENIX ((1.15rc2_3433: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.289 | 1.947 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.120 | |
Number of reflections | 17170 | 884 |
<I/σ(I)> | 14.36 | 1.1 |
Completeness [%] | 99.0 | 90.72 |
Redundancy | 19.9 | |
CC(1/2) | 0.999 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M potassium chloride, 0.025 sodium cacodylate, 17.5% Tacsimate pH 6.0, and 0.0005 M spermine. |