9GIA

Crystal Structure of Polyphosphate kinase 2-II (PPK2-II) from Bacillus cereus Apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	93.134, 116.815, 130.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.604 - 2.550
Rwork	0.210
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.678
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.604	2.520
High resolution limit [Å]	2.420	2.420
Rmerge	0.110	1.070
Number of reflections	26950	10904
<I/σ(I)>	8.6
Completeness [%]	98.6
Redundancy	6.4
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	PEG 2000 or 4000 , Tris buffer pH 8.5 and Li2SO4