7BMM

Crystal structure of Polyphosphate Kinase 2 from Deinococcus radiodurans in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-08-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	88.925, 78.605, 111.451
Unit cell angles	90.00, 109.21, 90.00

Refinement procedure

Resolution	83.980 - 2.060
R-factor	0.1967
Rwork	0.194
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aqe
RMSD bond length	0.002
RMSD bond angle	0.501
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.980	2.346
High resolution limit [Å]	2.060	2.060
Number of reflections	46075	2305
<I/σ(I)>	6.3
Completeness [%]	92.5	72.8
Redundancy	6.9	6.8
CC(1/2)	0.987	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0,04 M potassium phosphate 2% PEG 8K 8% glycerol