1EM0

COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 41
Unit cell lengths	32.210, 32.210, 62.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 0.900
R-factor	0.142 *
Rwork	0.152
R-free	0.16100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4 ((MAD PROGS))
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.000
High resolution limit [Å]	0.860	0.900
Rmerge	0.021	0.124
Total number of observations	336951 *
Number of reflections	45197
Completeness [%]	93.0	70.3
Redundancy	8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	290	1.25UM DNA, 1.25UM NI-PORPHYRIN, 50UM MGCL2, 5% MPD, 30MM SODIUM CACODYLATE, AGAINST 500UM RESERVOIR OF 55% MPD, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K
1	Vapor diffusion *	7	290	1.25UM DNA, 1.25UM NI-PORPHYRIN, 50UM MGCL2, 5% MPD, 30MM SODIUM CACODYLATE, AGAINST 500UM RESERVOIR OF 55% MPD, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	1.25 (mM)
2	1	drop	Ni2+-TMPy	1.25 (mM)
3	1	drop		50 (mM)
4	1	drop	MPD	5 (%)
5	1	drop	sodium cacodylate	30 (mM)
6	1	reservoir	MPD	55 (%)