6K6T

Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-IMP bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	273
Detector technology	IMAGE PLATE
Collection date	2018-05-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	73.450, 42.540, 155.040
Unit cell angles	90.00, 94.65, 90.00

Refinement procedure

Resolution	51.114 - 2.200
R-factor	0.1994
Rwork	0.197
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gfx
RMSD bond length	0.015
RMSD bond angle	1.285
Data reduction software	iMOSFLM
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]	51.510	51.510	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.161	0.102	0.647
Rmeas	0.194	0.125	0.777
Rpim	0.107	0.070	0.426
Total number of observations	148871	2180	12648
Number of reflections	47970	742	4064
<I/σ(I)>	4.1	7.1	1.6
Completeness [%]	97.8	96.3	96.1
Redundancy	3.1	2.9	3.1
CC(1/2)	0.982	0.982	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.2M Ammonium acetate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4000