1CK1

STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN C3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-20
Temperature [K]	275
Detector technology	AREA DETECTOR
Collection date	1993-04
Detector	SIEMENS
Spacegroup name	P 41 2 2
Unit cell lengths	43.700, 43.700, 280.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.600
Rwork	0.162
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MIRAS-SOLVED IDENTICAL STRUCTURE IN A DIFFERENT CRYSTAL SETTING
RMSD bond length	0.008
RMSD bond angle	25.827 *
Data reduction software	CCP4
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.055 *	0.112 *
Number of reflections	8889
<I/σ(I)>	10.1	5.8
Completeness [%]	91.5	76.7
Redundancy	4.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	22 and 37 *	Bohach, G.A., (1992) Proteins, 13, 152. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)
2	1	reservoir	Tris-HCl	500 (mM)	pH8.5