1QM6

Closed form of Clostridium perfringens alpha-toxin strain NCTC8237

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-15
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	149.540, 149.540, 193.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.22
Rwork	0.220
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CALCIUM-FREE CLOSED ALPHA-TOXIN STRAIN CER89L43 (PDB CODE: 1CA1)
RMSD bond length	0.008
RMSD bond angle	23.270 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.121	0.336
Total number of observations	98122 *
Number of reflections	29145	3939 *
<I/σ(I)>	8.8	4.2
Completeness [%]	90.5	87.9
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7		PROTEIN WAS CRYSTALLISED BY HANGING DROP FROM 1.8-2.0 M NACL IN 0.1 M NA ACETATE, PH 4.7 OR 4.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.8 (M)
2	1	reservoir	sodium acetate	100 (mM)