6TTR

Crystal Structure of the coiled coil and GGDEF domain of DgcB from Caulobacter crescentus in complex with c-di-GMP

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	2018-08-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	88.084, 148.745, 60.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.240 - 2.850
R-factor	0.2192
Rwork	0.217
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DgcB GGDEF
RMSD bond length	0.006
RMSD bond angle	1.022
Data reduction software	XDS (20180808)
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.240	3.010
High resolution limit [Å]	2.850	2.850
Rmerge	0.100	0.717
Rmeas	0.140	1.008
Rpim	0.099	0.708
Number of reflections	17722	2616
<I/σ(I)>	6.5	1.2
Completeness [%]	94.2	96.3
Redundancy	2.5	2.5
CC(1/2)	0.992	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.09 M Sodium nitrate, 0.09 M Sodium phosphate dibasic, 0.09 M Ammonium sulfate, 0.1 M Tris BICINE, 20% v/v Glycerol, 10% w/v PEG 4000