7N29

Structure of NAD kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	97.129, 185.115, 188.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.790 - 2.800
R-factor	0.193
Rwork	0.191
R-free	0.24900
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	SHELXCD
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.790	2.910
High resolution limit [Å]	2.800	2.800
Rmerge	0.188	0.909
Rmeas	0.195	0.942
Rpim	0.052	0.245
Total number of observations	591288	64868
Number of reflections	42223	4427
<I/σ(I)>	13.9	3.3
Completeness [%]	99.9	100
Redundancy	14	14.7
CC(1/2)	0.997	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Magnesium Chloride, PEG 3350