9G86

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980114
Spacegroup name	P 61 2 2
Unit cell lengths	132.571, 132.571, 508.411
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.530 - 3.000
R-factor	0.1917
Rwork	0.190
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.869
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]	48.960	3.090
High resolution limit [Å]	3.000	3.000
Rmerge	0.361	3.305
Rmeas	0.366	3.356
Rpim	0.062	0.580
Total number of observations	1825849	141102
Number of reflections	54311	4359
<I/σ(I)>	12.6	1.4
Completeness [%]	100.0
Redundancy	33.6	32.4
CC(1/2)	0.998	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M NaCl (Salt) 0.05 M Na Cacod 6.5 pH (Buffer) 10 %w/v PEG 4K (Precipitant) 0.5 mM Spermine (Additive)