1GYG

R32 CLOSED FORM OF ALPHA-TOXIN FROM CLOSTRIDIUM PERFRINGENS STRAIN CER89L43

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH 300 MM
Spacegroup name	H 3 2
Unit cell lengths	151.400, 151.400, 195.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 1.980 *
R-factor	0.188 *
Rwork	0.208
R-free	0.23300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INCOMPLETE EARLIER CHAIN TRACE OF OTHER CRYSTAL FORM
RMSD bond length	0.007
RMSD bond angle	1.872
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.980
Rmerge	0.058	0.193
Total number of observations	257576 *
Number of reflections	56901 *
Completeness [%]	87.0
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	293 *	Basak, A., (1998) Acta Crystallogr., D54, 1425. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9-10 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	reservoir		1.7 (M)	pH4.6
4	1	reservoir	sodium acetate