6IH7

Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - 3',3'-cGAMP bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-02-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	C 1 2 1
Unit cell lengths	157.899, 42.600, 73.330
Unit cell angles	90.00, 94.91, 90.00

Refinement procedure

Resolution	55.974 - 2.250
R-factor	0.1842
Rwork	0.181
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gfx
RMSD bond length	0.010
RMSD bond angle	0.972
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.974	55.970	2.320
High resolution limit [Å]	2.250	9.000	2.250
Rmerge	0.042	0.037	0.169
Rmeas	0.051	0.045	0.205
Rpim	0.028	0.025	0.115
Number of reflections	22200	378	1951
<I/σ(I)>	15.1
Completeness [%]	95.1	92.6	93.3
Redundancy	3.2	3	3.2
CC(1/2)	0.998	0.995	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG4000, sodium acetate, tris