8JGR

Crystal structure of Deinococcus radiodurans exopolyphosphatase in the presence of Pi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	165.010, 165.010, 39.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.580 - 2.500
R-factor	0.2215
Rwork	0.220
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.062	0.037	0.548
Rmeas	0.067	0.040	0.590
Number of reflections	20449	214	1532
<I/σ(I)>	17.76
Completeness [%]	94.4
Redundancy	5.94
CC(1/2)	0.999	0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	NaH2PO4, K2HPO4