5LLX

Bacteriophytochrome activated diguanylyl cyclase from Idiomarina species A28L with GTP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.95000
Spacegroup name	P 21 21 21
Unit cell lengths	50.730, 78.640, 452.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.078 - 2.800
R-factor	0.2255
Rwork	0.223
R-free	0.27030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PadC
RMSD bond length	0.009
RMSD bond angle	0.797
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.078		2.900
High resolution limit [Å]	2.800	20.000	2.800
Rmerge	0.184	0.025	2.556
Number of reflections	44894
<I/σ(I)>	7.81	35.34	0.61
Completeness [%]	97.5	86	99.3
Redundancy	4.37
CC(1/2)	0.994	0.999	0.142

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.1 M Bis-Tris pH 5.5, 0.1 M ammonium acetate, 17 % (w/v) PEG 10,000. Soaked 5 minutes in GTP 10mM in reservoir solution.