1CA1

ALPHA-TOXIN FROM CLOSTRIDIUM PERFRINGENS

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1995-08
Detector	MAR scanner 300 mm plate
Spacegroup name	C 2 2 21
Unit cell lengths	61.300, 177.300, 79.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.900
R-factor	0.208
Rwork	0.208
R-free	0.25400
Structure solution method	SIR, MOLECULAR REPLACEMENT AND CROSS-CRYSTAL AVERAGING
Starting model (for MR)	INCOMPLETE EARLIER CHAIN TRACE OF ALTERNATE STRAIN
RMSD bond length	0.012
RMSD bond angle	23.262 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.065	0.157
Total number of observations	202958 *
Number of reflections	30175
<I/σ(I)>	13.5	4.3
Completeness [%]	91.0 *	73.8
Redundancy	5.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	20 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.05 (M)
2	1	drop	Na-HEPES	0.1 (M)
3	1	reservoir	sodium acetate	1 (M)