8C05

LOV-activated diguanylate cyclase, dark-state structure

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	2021-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03312
Spacegroup name	P 61 2 2
Unit cell lengths	56.350, 56.350, 318.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.800 - 2.500
R-factor	0.2569
Rwork	0.255
R-free	0.29780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.393
Data reduction software	XDS (1.02)
Data scaling software	XSCALE (VERSION Feb 5, 2021 BUILT=20210323)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.060	0.820
Number of reflections	11310	1202
<I/σ(I)>	27.21	4.39
Completeness [%]	99.9	99.8
Redundancy	4.5	5.36
CC(1/2)	1.000	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Sodium formate, 0.1 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate, 0.1 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium oxamate, 0.1 M Sodium HEPES; MOPS (acid), pH 7.5, 20% v/v Glycerol; 10% w/v PEG 4000