8JGT

Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant

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	2019-12-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	164.940, 164.940, 39.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.990 - 2.200
R-factor	0.2388
Rwork	0.238
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.976
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	2.250
High resolution limit [Å]	2.200	9.820	2.200
Rmerge	0.072	0.027	0.244
Rmeas	0.080	0.031	0.282
Number of reflections	30968	351	1993
<I/σ(I)>	21.72
Completeness [%]	97.5
Redundancy	5.38
CC(1/2)	0.999	0.999	0.989

Crystallization Conditions

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