7K5N

Ligand binding domain (tandem PAS/dCache) of Aeromonas caviae diguanylate cyclase with proline bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-03-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 41 2 2
Unit cell lengths	86.188, 86.188, 75.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.470 - 1.800
R-factor	0.2375
Rwork	0.236
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8c
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.063
Rmeas	0.089
Rpim	0.064
Number of reflections	26946	1304
<I/σ(I)>	30
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.990	0.208

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	crystal growth conditions: 80 mM sodium acetate trihydrate pH 4.5 and 1.4 - 1.5 M sodium formate. cryoprotectant was the crystal growth conditions plus 10 mM proline and 20% glycerol. crystals were briefly (< 1min) swished through cryoprotectant before flash frozen in liquid nitrogen