9GP9

Crystal Structure of Polyphosphate kinase 2-II (PPK2-II) from Lysinibacillus fusiformis bound to ADP (form I)

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 EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	109.782, 109.782, 286.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 2.880
Rwork	0.190
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.790
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.390	3.030
High resolution limit [Å]	2.880	2.880
Rmerge	0.089	1.500
Number of reflections	20089	2871
<I/σ(I)>	16.4
Completeness [%]	99.0
Redundancy	8.9
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Ammonium Sulfate and MES pH 6.5