5VGC

Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-17
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 65 2 2
Unit cell lengths	151.376, 151.376, 87.983
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 2.600
R-factor	0.25015
Rwork	0.245
R-free	0.29704
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2kky
RMSD bond length	0.010
RMSD bond angle	1.344
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.046
Rpim	0.021	0.638
Number of reflections	19632	962
<I/σ(I)>	36.38	1.2
Completeness [%]	98.9	100
Redundancy	6.7	6.9
CC(1/2)	1.000	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	293	20% P3350, 0.2 M CaCl2, 2% Hexanediol, 20 mM Tris pH 9.0, 0.2 M NaCl, 0.3 M KCl2