7NMJ

Crystal structure of Polyphosphate Kinase 2 from Deinococcus radiodurans in complex with ADP

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	88.784, 78.849, 112.139
Unit cell angles	90.00, 109.39, 90.00

Refinement procedure

Resolution	63.220 - 2.080
R-factor	0.19
Rwork	0.187
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bmm
RMSD bond length	0.003
RMSD bond angle	0.710
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.220	2.440
High resolution limit [Å]	2.080	2.080
Rmerge	0.165	0.470
Rmeas	0.230
Rpim	0.160	0.370
Number of reflections	35023	1752
<I/σ(I)>	3.1	1.7
Completeness [%]	84.9	59.7
Redundancy	3	2.7
CC(1/2)	0.981	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0,04 M potassium phosphate 2% PEG 8K 8% glycerol Soaking with ADP