2OMX

Crystal structure of InlA S192N G194S+S/hEC1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	P 1
Unit cell lengths	44.887, 54.160, 68.811
Unit cell angles	74.75, 80.69, 67.71

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.16973
Rwork	0.167
R-free	0.22323
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o6s
RMSD bond length	0.024
RMSD bond angle	1.971
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.092	0.036	0.715
Number of reflections	62497
<I/σ(I)>	7.5
Completeness [%]	90.7	99.6	64.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PEG 4000, CaCl2, Na-Acetate, Tris/MES, pH 6.0, vapor diffusion, hanging drop, temperature 298K