8OYR
DNA Major Groove Binding by lambda-[Ru(phen)2(phi)]2+
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 | 2023-01-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763, 0.5585 |
Spacegroup name | P 4 2 2 |
Unit cell lengths | 56.990, 56.990, 30.892 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.660 - 2.210 |
R-factor | 0.2333 |
Rwork | 0.230 |
R-free | 0.26280 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.749 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | SHELX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.980 | 2.250 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 9.990 | |
Number of reflections | 4817 | 132 |
<I/σ(I)> | 21.5 | 0 |
Completeness [%] | 100.0 | 100 |
Redundancy | 28.8 | |
CC(1/2) | 0.999 | 0.094 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.04 M Strontium Chloride hexahydrate, 0.02 M Sodium cacodylate trihydrate pH 7.0, 10% w/v MPD, 0.006 M spermine tetrahydrochloride, 0.01 M Magnesium chloride hexahydrate. |