7R4J

Crystal structure of human mitochondrial NAD kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	68.472, 68.472, 221.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.420 - 2.950
R-factor	0.2376
Rwork	0.231
R-free	0.29780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alphafold
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.420	48.420	3.120
High resolution limit [Å]	2.950	8.710	2.950
Rmerge	0.121	0.025	2.039
Rmeas	0.149	0.030	2.526
Total number of observations	53958
Number of reflections	20060	730	3298
<I/σ(I)>	6.7	34.31	0.46
Completeness [%]	94.3	88.4	95.5
Redundancy	2.69	2.649	2.6
CC(1/2)	0.996	0.999	0.102

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 400 28% v/v, CaCl2 150 mM, 0.1 M Sodium HEPES, 2% glycerol