2YHJ

Clostridium perfringens Enterotoxin at 4.0 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-02
Detector	ADSC CCD
Spacegroup name	P 21 3
Unit cell lengths	159.697, 159.697, 159.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.200 - 4.000
R-factor	0.2492
Rwork	0.247
R-free	0.29950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xh6 CHAIN A
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	4.200
High resolution limit [Å]	4.000	4.000
Rmerge	0.170	0.620
Number of reflections	11712
<I/σ(I)>	16.7	3.2
Completeness [%]	99.9	99.5
Redundancy	10	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.3		10 MG/ML PROTEIN IN WATER EQUILIBRATED AGAINST 2.0 M HEXANE-1,2-DIOL AND 10 MM ZNCL2 IN 50 MM CITRATE, PH 4.3 .