9GLG

X-ray structure of the Thermus thermophilus Q218E mutant of the PilF-GSPIIB domain in the c-di-GMP bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	H 3
Unit cell lengths	108.099, 108.099, 86.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.130 - 1.550
R-factor	0.1844
Rwork	0.184
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.130	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.081
Rmeas	0.085
Rpim	0.026
Number of reflections	54531	5482
<I/σ(I)>	12.78
Completeness [%]	100.0
Redundancy	12.78
CC(1/2)	0.997	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1.5 M LiSO4 0.1 M NaAc pH 7.0