8JGO

Crystal structure of Deinococcus radiodurans exopolyphosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	CCD
Collection date	2017-07-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	167.070, 167.070, 39.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.120 - 1.900
R-factor	0.2326
Rwork	0.231
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.831
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	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.060	0.036	0.367
Rmeas	0.067	0.041	0.410
Number of reflections	49224	255	3538
<I/σ(I)>	16.19
Completeness [%]	98.0
Redundancy	5.34
CC(1/2)	0.999	0.996	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	NaAc, NH4SO4