2OMT

Crystal structure of InlA G194S+S/hEC1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	P 21 21 21
Unit cell lengths	55.240, 88.470, 110.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.199
Rwork	0.194
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o6s
RMSD bond length	0.023
RMSD bond angle	2.129
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	EPMR (2.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.121	0.370
Number of reflections	36174
<I/σ(I)>	9.44	3.9
Completeness [%]	95.8	91.5
Redundancy	5	3

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