4MS5
Lambda-[Ru(TAP)2(dppz-11,12-(F)2)]2+ bound to CCGGATCCGG
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 | 2012-12-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8266 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 47.610, 47.610, 34.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.010 - 2.230 |
R-factor | 0.22011 |
Rwork | 0.219 |
R-free | 0.24525 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qrn |
RMSD bond length | 0.010 |
RMSD bond angle | 2.433 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 2.290 |
High resolution limit [Å] | 2.230 | 2.230 |
Number of reflections | 2136 | |
Completeness [%] | 99.0 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | 1ul 1mM (CCGGATCCGG)2, 1ul 2mM Ru(TAP)2(dppz-11,12-(F)2]Cl2, 6ul of 40mM Na-cacodylate, 12mM spermine, 20mM BaCl2, 80mM KCl, 10% 2-methyl-2,4-pentanediol. Equilibriated against 1ml 35% 2-methyl-2,4-pentanediol, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |