3CI0

The Crystal Structure of the GspK-GspI-GspJ complex from enterotoxigenic Escherichia coli Type 2 Secretion System

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.54704
Spacegroup name	P 41 21 2
Unit cell lengths	96.118, 96.118, 108.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.960 - 2.200
R-factor	0.19492
Rwork	0.192
R-free	0.25942
Structure solution method	MIRAS
RMSD bond length	0.013
RMSD bond angle	1.279
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.200	36.150	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.078	0.053	0.537
Number of reflections	26464
<I/σ(I)>	5.9	10.7	1.4
Completeness [%]	100.0	98.9	100
Redundancy	6.8	6.3	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	25-30% PEG 3350, 0.1M NA ACETATE (PH 5.0), 0.1M CACL2, vapor diffusion, sitting drop, temperature 298K