8JGX

Crystal structure of Acinetobacter baumannii 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	PIXEL
Collection date	2019-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	44.220, 160.500, 81.440
Unit cell angles	90.00, 96.30, 90.00

Refinement procedure

Resolution	29.360 - 2.600
R-factor	0.2277
Rwork	0.225
R-free	0.27590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.015
Data reduction software	XDS
Data scaling software	SCALA
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	2.660
High resolution limit [Å]	2.600	11.610	2.600
Rmerge	0.053	0.026	0.559
Rmeas	0.063	0.030	0.660
Number of reflections	34012	371	2291
<I/σ(I)>	15.97
Completeness [%]	97.8
Redundancy	3.69
CC(1/2)	0.998	0.999	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	NH4Ac, BIS-TRIS, PEG 3350