9G85

Structure of Response regulator PleD in complex with c-diGMP and ppGpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 61 2 2
Unit cell lengths	133.001, 133.001, 510.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.700 - 2.900
R-factor	0.2028
Rwork	0.201
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.818
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.426	4.999
Rmeas	0.432	5.063
Rpim	0.069	0.793
Total number of observations	2352269	175010
Number of reflections	60601	4360
<I/σ(I)>	11.3	1.2
Completeness [%]	100.0
Redundancy	38.8	40.1
CC(1/2)	0.997	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M KCl (Salt) 0.01 M MgCl2 (Salt) 0.05 M MES 5.6 pH (Buffer) 5 %w/v PEG 8K (Precipitant)