8PE0

X-ray structure of the Thermus thermophilus K167L 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	108.434, 108.434, 88.125
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.440 - 1.900
R-factor	0.1808
Rwork	0.179
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.261	1.968
High resolution limit [Å]	1.760	1.900
Rmerge	0.072	1.713
Rmeas	0.075
Rpim	0.023	0.552
Number of reflections	30444	3034
<I/σ(I)>	15.02	1.23
Completeness [%]	100.0
Redundancy	10.4
CC(1/2)	0.999	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	1.5 M LiSO4 0.1 M Na-Acetate pH 6.0