2Y5P

B-repeat of Listeria monocytogenes InlB (internalin B)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR555 FLAT PANEL
Spacegroup name	P 21 21 21
Unit cell lengths	28.610, 58.340, 158.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 1.300
R-factor	0.15827
Rwork	0.157
R-free	0.19559
Structure solution method	MAD
Starting model (for MR)	NONE
RMSD bond length	0.024
RMSD bond angle	2.097
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.070	0.720
Number of reflections	66287
<I/σ(I)>	31.8	2.98
Completeness [%]	99.9	99.3
Redundancy	22.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20 DEG C IN HANGING OR SITTING-DROPS WITH 2 UL PROTEIN (17.3 MG/ML) PLUS 1 UL RESERVOIR (0.1 M NA-ACETATE PH 5.0, 0.2 M CACL2, 18 % PEG 6000).
1	VAPOR DIFFUSION		293	20 DEG C IN HANGING OR SITTING-DROPS WITH 2 UL PROTEIN (17.3 MG/ML) PLUS 1 UL RESERVOIR (0.1 M NA-ACETATE PH 5.0, 0.2 M CACL2, 18 % PEG 6000).