6GS8

Crystal structure of SmbA in complex with c-di-GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97319
Spacegroup name	P 1 21 1
Unit cell lengths	127.910, 87.420, 130.270
Unit cell angles	90.00, 119.48, 90.00

Refinement procedure

Resolution	29.570 - 2.800
R-factor	0.2201
Rwork	0.219
R-free	0.26840
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.969
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.570	30.000	2.770
High resolution limit [Å]	2.800	12.050	2.700
Rmerge		0.021	0.972
Rmeas		0.025	1.181
Number of reflections	58051	1480	9250
<I/σ(I)>	22.9	54.42	1.17
Completeness [%]	93.8	97.6	91.8
Redundancy	6.8	3.334	2.835
CC(1/2)	0.999	0.999	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	303	0.15 M potassium thiocyanate, 0.1M Tris pH 8.5, 13% w/v PEG 5000 MME