1HQJ

CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE

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]	100
Detector technology	CCD
Collection date	1999-11-05
Detector	MARRESEARCH
Wavelength(s)	0.951
Spacegroup name	P 21 21 21
Unit cell lengths	44.334, 44.874, 81.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.200
R-factor	0.159 *
R-free	0.22000 *
RMSD bond length	0.010 *
RMSD bond angle	2.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.200
Rmerge	0.629 *
Total number of observations	244675 *
Number of reflections	78313 *
Completeness [%]	81.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Ammonium Sulfate, Sodium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate		0.900ml saturated
2	1	reservoir	sodium acetate	1 (M)
3	1	drop	protein	60 (mg/ml)