1OLP

Alpha Toxin from Clostridium Absonum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	92.956, 193.592, 92.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.750 - 2.500
R-factor	0.181
Rwork	0.178
R-free	0.23300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1CA1 WITH LOOPS OMITTED
RMSD bond length	0.010
RMSD bond angle	1.183
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.784	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.062	0.195
Total number of observations	623268 *
Number of reflections	56134 *
<I/σ(I)>	8	2
Completeness [%]	96.1	90
Redundancy	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	20 *	100MM NA-CITRATE 5.6, 30% PEG 4000,200MM AMMONIUM ACETATE, pH 5.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH8.0
3	1	reservoir	sodium citrate	100 (mM)	pH5.6
4	1	reservoir	PEG4000	30 (%(w/v))
5	1	reservoir	ammonium acetate	200 (mM)