7D62

pGpG-specific phosphodiesterase - PggH from Vibrio cholrae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	68.367, 148.830, 58.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.250 - 1.900
R-factor	0.1979
Rwork	0.196
R-free	0.23890
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.948
Data reduction software	XDS
Data scaling software	HKL-2000 (v712)
Phasing software	PHENIX ((1.11.1_2575))
Refinement software	PHENIX ((1.17.1_3660: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmeas	0.091	0.578
Rpim	0.028	0.251
Number of reflections	48026	2320
<I/σ(I)>	11.9
Completeness [%]	99.3	97.3
Redundancy	8.4
CC(1/2)		0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.2 M manganese chloride, Tris-HCl (pH 8.5), 12% (v/v) PEG 4000, 2 mM Tris(2-carboxyethyl) phosphine (TCEP)