5JEV
del-[Ru(phen)2(dppz]2+ bound to d(TCGGCGCCGA) with Cobalt hexammine
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 | 2012-12-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.8266 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 48.720, 48.720, 29.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.901 - 0.990 |
R-factor | 0.1242 |
Rwork | 0.123 |
R-free | 0.14100 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 2.325 |
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] | 22.610 | 1.020 |
High resolution limit [Å] | 0.990 | 0.990 |
Rmerge | 0.031 | 0.833 |
Number of reflections | 19226 | |
<I/σ(I)> | 19.9 | 1.9 |
Completeness [%] | 94.1 | 92.2 |
Redundancy | 6.5 | 6.7 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 1uL 2mM d(TCGGCGCCGA), 1uL 2mM del-[Ru(phen)2(dppz)]2+, 6uL of a solution containing 10% (V/V) 2-methyl-2,4-pentanediol, 40mM Na-cacodylate, 20mM Cobalt hexammine, 12mM NaCl and 80mM KCl. |