1G6D

STRUCTURE OF PEPTIDYL-D(CGCAATTGCG) IN THE PRESENCE OF ZINC IONS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-08-06
Detector	MARRESEARCH
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	27.920, 44.090, 53.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.900
R-factor	0.208 *
Rwork	0.208
R-free	0.21600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.900
Rmerge	0.120 *	0.490 *
Number of reflections	748 *
<I/σ(I)>	10.4
Completeness [%]	92.8 *	83.3 *
Redundancy	3.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.5 mM adduct, 10mM sodium cacodylate, 0.75 mM Zn acetate, 10% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	adduct
2	1	1	sodium cacodylate
3	1	1	Zn acetate
4	1	1	MPD
5	1	2	MPD