7LQ3

Evolution of a sigma-(c-di-GMP)-antisigma switch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	78.545, 78.545, 81.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.273 - 2.550
R-factor	0.2057
Rwork	0.199
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lq2
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.273	2.590
High resolution limit [Å]	2.550	2.550
Rpim	0.028	0.453
Number of reflections	8738	847
<I/σ(I)>	20.2	2.9
Completeness [%]	99.6
Redundancy	10.5
CC(1/2)	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M sodium acetate pH 4.5, 2.5 M NaCl, 0.2 M lithium sulfate, 0.1 M MgCl2