7EPQ

Crystal structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with sulfate and magnesium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	64.430, 86.610, 122.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.400 - 2.200
Rwork	0.180
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2flo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.200	2.200
Rmeas	0.090
Number of reflections	35284	2275
<I/σ(I)>	24.8
Completeness [%]	99.6
Redundancy	7.2
CC(1/2)	0.960	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	16% (w/v) Polyethylene glycol 3350, 0.21 M magnesium sulfate heptahydrate