6QRL

Crystal structure of ShkA _Rec1 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	2017-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00004
Spacegroup name	P 32 2 1
Unit cell lengths	55.110, 55.110, 179.661
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.840
R-factor	0.2089
Rwork	0.207
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qrj
RMSD bond length	0.009
RMSD bond angle	1.677
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.900
High resolution limit [Å]	1.840	1.840
Rmerge	0.108	5.180
Rpim	0.108	5.180
Number of reflections	28149
<I/σ(I)>	18.18
Completeness [%]	94.5
Redundancy	19.2
CC(1/2)	1.000	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2 M Ammonium sulfate, 0.1 M Bis-Tris pH 6.5 and 25% w/v PEG 3350