6RJM

Complex structure of virulence factor SghA and its hydrolysis product glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-26
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	59.035, 84.590, 184.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.784 - 2.112
R-factor	0.1838
Rwork	0.181
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rjk
RMSD bond length	0.008
RMSD bond angle	1.086
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.100	2.100
Rmeas	0.084	0.692
Rpim	0.044	0.369
Number of reflections	98373	4123
<I/σ(I)>	13.1
Completeness [%]	98.6	97.3
Redundancy	3.3	3.3
CC(1/2)	0.998	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG 3350 and 0.4 M ammonium formate