9P50

Crystal Structure of the GGDEF domain (residues 31-260) of Diguanylate Cyclase from Vibrio cholerae serotype O1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97895
Spacegroup name	P 21 21 21
Unit cell lengths	61.630, 76.844, 86.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.790 - 2.000
R-factor	0.1847
Rwork	0.182
R-free	0.24030
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.371
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.173
Rpim	0.048	0.313
Number of reflections	28689	1411
<I/σ(I)>	16.3	2.5
Completeness [%]	99.4	99.7
Redundancy	13.5	13.6
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	Protein: 5.6mg/ml, 0.15M Sodium chloride, 0.01M Tris pH 8.3; Screen: PEGs II (C4), 0.2M Magnesium chloride, 0.1M MES pH 6.5, 10% (w/v) PEG4000; Cryo: PEGs II (D3), 0.2M Magnesium chloride, 0.1M MES pH 6.5, 25% (w/v) PEG4000