Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.400, 42.400, 39.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.980 - 1.240 |
R-factor | 0.10444 |
Rwork | 0.103 |
R-free | 0.12850 |
Structure solution method | SAD |
RMSD bond length | 0.038 |
RMSD bond angle | 2.845 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 1.270 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 10743 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 1ul 2mM DNA, 1ul 2mM Lambda-[Ru(TAP)2(dppz-(Me2))]Cl2, 6ul 10% 2-methyl-2,4-pentanediol, 40mM sodium cacodylate, 12mM spermine tetra-HCl, 80mM potassium chloride, 20mM barium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K |