9P6J

Crystal Structure of the GGDEF Domain of the Diguanylate Cyclase from Vibrio vulnificus CMCP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	83.572, 90.570, 40.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.410 - 2.600
R-factor	0.21578
Rwork	0.214
R-free	0.25865
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.234
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.066	0.841
Rmeas	0.071
Rpim	0.027	0.331
Number of reflections	9990	482
<I/σ(I)>	24.1	2.5
Completeness [%]	99.9	100
Redundancy	7	7.4
CC(1/2)		0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	Protein: 8.4 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: PACT (F4), 0.2M Potassium thiocyanate, 0.1M Bis Tris propane pH 6.5, 20% (w/v) PEG3350; Cryo: Screen, Reservoir.