1AN8

CRYSTAL STRUCTURE OF THE STREPTOCOCCAL SUPERANTIGEN SPE-C

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY
Synchrotron site	Photon Factory
Temperature [K]	293
Detector technology	FILM
Collection date	1996-04
Detector	FILM
Spacegroup name	P 43 21 2
Unit cell lengths	75.410, 75.410, 168.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.174
Rwork	0.171
R-free	0.21500 *
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	22.127 *
Data reduction software	DENZO
Data scaling software	CCP4 ((ROTAVATA))
Phasing software	CCP4
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.570
High resolution limit [Å]	2.400	2.420
Rmerge	0.103 *	0.423 *
Total number of observations	71127 *
Number of reflections	17866
<I/σ(I)>	5.9	2.4
Completeness [%]	91.6	87.4
Redundancy	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8		PROTEIN WAS CRYSTALLIZED FROM 2.7 M AMMONIUM SULFATE IN 0.1 M TRIS/HCL BUFFER AT PH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	drop	phosphate	0.1 (M)
3	1	reservoir	ammonium sulfate	2.7 (M)
4	1	reservoir	Tris-HCl	0.1 (M)