6ZXC

Diguanylate cyclase DgcR (I-site mutant) in activated state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	93.15
Detector technology	PIXEL
Collection date	2017-10-13
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	132.812, 247.368, 41.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.2282
Rwork	0.237
R-free	0.28813
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zxb
RMSD bond length	0.010
RMSD bond angle	1.861
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.260	2.820
High resolution limit [Å]	2.700	2.700
Rmerge	0.144	0.901
Rmeas	0.177
Rpim	0.101	0.649
Number of reflections	36666	19016
<I/σ(I)>	6.3	1.6
Completeness [%]	95.6	93.1
Redundancy	4.3	4.2
CC(1/2)	0.991	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.06 M Divalents, 0.1M Buffer System 1 pH 6.5, 50%v/v Precipitant Mix 2 (Morpheus I A2). Divalents: 0.3M Magnesium chloride hexahydrate; 0.3M Calcium chloride dehydrate. Buffer System 1: 1.0M Imidazole; MES monohydrate (acid), pH 6.5. Precipitant Mix 2: EDO_P8K, 40% v/v Ethylene glycol, 20 % w/v PEG 8000.