7L8N

Diadenylate cyclase with AMP from Streptococcus mutans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	76.360, 84.590, 100.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 1.940
R-factor	0.1644
Rwork	0.161
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rv7
RMSD bond length	0.011
RMSD bond angle	1.062
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.980
High resolution limit [Å]	1.940	1.940
Rmerge	0.092
Number of reflections	24283	8160
<I/σ(I)>	19.46
Completeness [%]	99.8
Redundancy	13.79
CC(1/2)	0.999	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1M sodium malonate pH 5.0, 0.1M sodium acetate trihydrate pH 4.5, 2% PEG 20000