4A4Y

Structure of the Cytosolic Domain of the Shigella T3SS component MxiG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-16
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	94.790, 94.790, 31.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.050 - 1.570
R-factor	0.17724
Rwork	0.176
R-free	0.20414
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	STRUCTURE OF SE-MET DERIVATIVE
RMSD bond length	0.028
RMSD bond angle	2.527
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.040	1.610
High resolution limit [Å]	1.570	1.570
Rmerge	0.050	1.100
Number of reflections	23028
<I/σ(I)>	23.13	2.02
Completeness [%]	99.8	98.1
Redundancy	11	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PROTEIN WAS CRYSTALLIZED FROM 0.085 M HEPES SODIUM PH 7.5, 1.7% POLYETHYLENE GLYCOL 400, 1.7 M AMMONIUM SULFATE, 15% GLYCEROL.