1F77

STAPHYLOCOCCAL ENTEROTOXIN H DETERMINED TO 2.4 A RESOLUTION

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	1999-08-18
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	48.260, 103.390, 117.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.400
R-factor	0.214 *
Rwork	0.214
R-free	0.25300
RMSD bond length	0.008
RMSD bond angle	25.200
Data reduction software	TRUNCATE
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.326
Number of reflections	23703
<I/σ(I)>	14.8
Completeness [%]	95.8 *	97
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.3	298	16% PEG 8000, 500 mM Li2SO4, 5 mM CaCl2, pH 4.3, 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	PEG8000	16 (%(w/v))
3	1	reservoir		500 (mM)
4	1	reservoir		5 (mM)