6ET7

Activated heterodimer of the bacteriophytochrome regulated diguanylyl cyclase variant - S505V A526V - from Idiomarina species A28L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0089
Spacegroup name	P 21 21 21
Unit cell lengths	49.460, 78.420, 443.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.306 - 2.852
R-factor	0.2187
Rwork	0.216
R-free	0.27460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5llw 5llx
RMSD bond length	0.008
RMSD bond angle	1.141
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.306	49.306	2.950
High resolution limit [Å]	2.850	20.000	2.850
Rmerge	0.210	0.057	1.491
Rmeas	0.221	0.061	1.564
Total number of observations	427424
Number of reflections	41744	157	4020
<I/σ(I)>	9.28	28.19	1.55
Completeness [%]	99.9	93.5	99.8
Redundancy	10.239	7.07	10.766
CC(1/2)	0.996	0.997	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M magnesium formate, 12 % (w/v) PEG 3,350