8JGU

Crystal structure of N-terminal domain of exopolyphosphatase from Deinococcus radiodurans

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	2018-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 64
Unit cell lengths	101.410, 101.410, 49.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.270 - 1.990
R-factor	0.1856
Rwork	0.184
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.824
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	2.040
High resolution limit [Å]	1.990	8.900	1.990
Rmerge	0.109	0.046	0.570
Rmeas	0.120	0.049	0.626
Number of reflections	19639	233	1410
<I/σ(I)>	17.2
Completeness [%]	98.0
Redundancy	7.05
CC(1/2)	0.993	0.996	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	NaAc