8PDK

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-14
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	108.138, 108.138, 87.922
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.330 - 2.000
R-factor	0.1791
Rwork	0.178
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.088
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]	41.330	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.039	0.665
Rmeas	0.043	0.743
Rpim	0.019	0.331
Number of reflections	25934	2624
<I/σ(I)>	29.09	2.6
Completeness [%]	100.0	99.96
Redundancy	5.2
CC(1/2)	1.000	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	1.8 M Lithiumsulfate 0.1 M Sodiumacetate pH 5.5