5YQ0

Crystal structure of secreted protein CofJ from ETEC.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	142.208, 147.540, 149.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.228 - 1.760
R-factor	0.1833
Rwork	0.180
R-free	0.21150
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	Aimless (0.2.8)
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.230	49.230	1.790
High resolution limit [Å]	1.760	9.640	1.760
Rmerge	0.126	0.048	2.016
Rmeas	0.135	0.052	2.164
Rpim	0.049	0.020	0.783
Total number of observations	2325718	14033	109819
Number of reflections	307221	2091	14749
<I/σ(I)>	10.6	28.6	1.3
Completeness [%]	99.5	99.4	97.6
Redundancy	7.6	6.7	7.4
CC(1/2)	0.998	0.996	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM Tris-HCl pH 7.0, 14% PEG3350, 200mM CaCl2