6G8S
[Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(CCGGACCCGG/CCGGGTCCGG)2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | P 43 |
Unit cell lengths | 47.247, 47.247, 33.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.623 - 1.660 |
R-factor | 0.1883 |
Rwork | 0.187 |
R-free | 0.20340 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.939 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | SHELXCD |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.590 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.051 | 0.905 |
Rmeas | 0.053 | 0.942 |
Rpim | 0.015 | 0.261 |
Number of reflections | 9018 | 460 |
<I/σ(I)> | 23.9 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13 |
CC(1/2) | 0.999 | 0.652 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | Crystallisation was observed in a number of conditions from the Nucleic Acid Mini-Screen from Hampton Research, where the best diffracting example came from a 8uL drop containing; 125 uM d(CCGGACCCGG/CCGGGTCCGG)2, 750 uM rac-[Ru(TAP)2(11,12-CN2-dppz)]2+, 7.5% v/v MPD, 30 mM pH 7 sodium cacodylate, 9 mM spermine tetrahydrochloride, 60 mM KCl and 15 mM BaCl2; all equilibrated against 1 mL of 35% v/v MPD. Orange/red rods grew following roughly 3 weeks of incubation at 291 K. |