6E0O

Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-11-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	57.195, 58.231, 99.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.813 - 1.250
R-factor	0.143
Rwork	0.142
R-free	0.16360
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.920	1.270
High resolution limit [Å]	1.250	1.250
Rpim	0.025	0.457
Number of reflections	92915	4497
<I/σ(I)>	13.9	1.6
Completeness [%]	99.9	98.7
Redundancy	6.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	8% PEG-3350, 100 mM trisodium citrate pH 7.0