1EWC

CRYSTAL STRUCTURE OF ZN2+ LOADED STAPHYLOCOCCAL ENTEROTOXIN H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-05-06
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	86.380, 86.380, 228.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.000 - 1.950
R-factor	0.23 *
Rwork	0.230
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1enf
RMSD bond length	0.007
RMSD bond angle	25.700 *
Data reduction software	TRUNCATE
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.082 *	0.246 *
Number of reflections	22772
<I/σ(I)>		3.1
Completeness [%]	92.4	94.9
Redundancy	4.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	298	20% iso-propanol, 100 mM sodium acetate pH 4.6, 200 mM CaCl2, EVAPORATION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	isopropanol	20 (%(v/v))
3	1	reservoir	sodium acetate	100 (mM)
4	1	reservoir		200 (mM)