8U0I

Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-02
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.0004
Spacegroup name	P 43 21 2
Unit cell lengths	50.317, 50.317, 90.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.988 - 1.541
Rwork	0.173
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.048
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.990	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.081	1.064
Rmeas	0.083	1.080
Rpim	0.013	0.187
Number of reflections	17945	865
<I/σ(I)>	19
Completeness [%]	100.0	99.9
Redundancy	39.2	32.9
CC(1/2)	1.000	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	5.3 mg/mL PA0012 and 2.5 mM cyclic-di-GMP. 0.2 M NH4SO4, 15% (w/v) PEG4000, 0.1 M Tri-NaCit pH=5.6