4AM9

CRYSTAL STRUCTURE OF THE YERSINIA ENTEROCOLITICA TYPE III SECRETION CHAPERONE SYCD IN COMPLEX WITH A PEPTIDE OF THE TRANSLOCATOR YOPD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-08
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	106.369, 106.369, 51.998
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.676 - 2.500
R-factor	0.1921
Rwork	0.190
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vgy
RMSD bond length	0.007
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.110	0.570
Number of reflections	11931
<I/σ(I)>	18.5	3.1
Completeness [%]	99.4	97
Redundancy	14	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	RESERVOIR SOLUTION: 50 MM MES PH 6, 50 MM CITRATE PH 5, 1.1-1.4 M (NH4)2SO4. VAPOR DIFFUSION AT 293 K WITH DROP RATIO OF 1 TO 0.5 PROTEIN TO RESERVOIR. PROTEIN CONCENTRATION 8 MG/ML. 1.3 FOLD MOLAR EXCESS OF PEPTIDE OVER PROTEIN.