9J7X

Crystal structure of quintuple mutant C terminal fragment of Clostridium perfringens enterotoxin (C-CPEm19)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-15
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	87.590, 87.590, 63.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.830 - 2.000
R-factor	0.1974
Rwork	0.196
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.144
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.810	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.086	0.903
Rmeas	0.090	0.947
Rpim	0.027	0.283
Total number of observations	213236	30827
Number of reflections	19458	2817
<I/σ(I)>	15.8	2.8
Completeness [%]	99.4
Redundancy	11	10.9
CC(1/2)	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	mixing 1 ml of protein solution at 9 mg/ml, 1 ml of reservoir solution containing 0.1 M sodium acetate pH 4.6 and 1.75 M ammonium sulfate, and allowing the drop to equilibrate against 1 ml of reservoir solution by the hanging drop method