8PFA

X-ray structure of the Thermus thermophilus K167R 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	108.165, 108.165, 87.446
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.620 - 1.800
R-factor	0.191
Rwork	0.189
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.252
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]	39.620	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	1.393
Rmeas	0.061
Rpim	0.019	0.453
Number of reflections	35354	3588
<I/σ(I)>	18.04	1.4
Completeness [%]	99.9
Redundancy	10.3
CC(1/2)	0.998	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.5 M LiSO4 0.1 M NaAcetate pH 6.0