5XT3

The catalytic domain of GdpP with c-di-GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	54.374, 117.042, 130.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.514 - 2.591
R-factor	0.2099
Rwork	0.207
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xsi
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	43.500
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.438
Number of reflections	26562
<I/σ(I)>	24.44
Completeness [%]	99.9	100
Redundancy	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% (w/v) PEG8000, 0.1 M imidazole pH 7.5, 0.2 M calcium acetate.