3OSS

The crystal structure of enterotoxigenic Escherichia coli GspC-GspD complex from the type II 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	2008-12-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	45.500, 76.810, 85.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.880 - 2.630
R-factor	0.2151
Rwork	0.213
R-free	0.26486
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ezj
RMSD bond length	0.013
RMSD bond angle	1.314
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.880	11.760	2.700
High resolution limit [Å]	2.630	8.320	2.630
Rmerge	0.135	0.027	0.903
Number of reflections	9399
<I/σ(I)>	11.04	41.2	2
Completeness [%]	99.9	100	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	0.9M MG SULFATE, 0.1M BIS-TRIS PROPANE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K