1I4X

STAPHYLOCOCCAL ENTEROTOXIN C2, MONOCLINIC FORM CRYSTALLIZED AT PH 8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	291
Detector technology	AREA DETECTOR
Collection date	1994-07-17
Detector	SIEMENS HI-STAR
Spacegroup name	P 1 21 1
Unit cell lengths	43.300, 70.360, 42.200
Unit cell angles	90.00, 90.30, 90.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.207
Rwork	0.207
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1se2
RMSD bond length	0.012
RMSD bond angle	2.340
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	MERLOT
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000
High resolution limit [Å]	2.300
Rmerge	0.086 *
Total number of observations	24947 *
Number of reflections	9146
Completeness [%]	80.6 *	16.2 *
Redundancy	2.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8	291	PEG 6000, Tris, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	PEG8000	20 (%)
3	1	reservoir	magnesium acetate	0.2 (M)
4	1	reservoir	sodium cacodylate	0.1 (M)