4AW4

Engineered variant of Listeria monocytogenes InlB internalin domain with an additional leucine rich repeat inserted

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-21
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	179.080, 102.150, 69.810
Unit cell angles	90.00, 90.23, 90.00

Refinement procedure

Resolution	19.690 - 1.930
R-factor	0.16771
Rwork	0.167
R-free	0.20535
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6t
RMSD bond length	0.015
RMSD bond angle	1.715
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.090	0.840
Number of reflections	89100
<I/σ(I)>	15.5	2.85
Completeness [%]	97.4	96.6
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	SITTING DROP VAPOUR DIFFUSION IN 96-WELL PLATES AT 20 DEGREE C. 17 MG/ML PROTEIN IN 25 MM TRIS, PH 8, 20 MM NACL. RESERVOIR SOLUTION WAS 2M AMMONIUM SULFATE. DROPS WERE SET UP WITH EQUAL VOLUMES OF PROTEIN AND RESERVOIR SOLUTION.