2Y5Q

Listeria monocytogenes InlB (internalin B) residues 36-392

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	2009-07-23
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	126.400, 126.400, 107.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.970 - 3.200
R-factor	0.19847
Rwork	0.197
R-free	0.22475
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6t
RMSD bond length	0.023
RMSD bond angle	2.037
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	3.280
High resolution limit [Å]	3.200	3.200
Rmerge	0.130	0.550
Number of reflections	16581
<I/σ(I)>	18.3	2.9
Completeness [%]	98.7	100
Redundancy	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20 DEG C IN HANGING OR SITTING-DROPS WITH 1.5 UL PROTEIN (5 MG/ML) PLUS 1.5 UL RESERVOIR (0.1 M MES, PH 5.5, 14 % MPD) MICROSEEDED FROM A SIMILAR CONDITION (0.1 M MES PH 6.0, 6.5 % PEG6000 AND 5 MM ZNCL2).