8QW1

Human NDPK-C in complex with ADP and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-07
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	C 1 2 1
Unit cell lengths	106.460, 116.310, 84.070
Unit cell angles	90.00, 93.05, 90.00

Refinement procedure

Resolution	42.011 - 2.100
Rwork	0.172
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.641
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.011	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.184	1.509
Rmeas	0.199	1.659
Number of reflections	57087	3195
<I/σ(I)>	10.01	1.72
Completeness [%]	95.8	73.1
Redundancy	6.6	5.9
CC(1/2)	0.995	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	27% glycerol, 7% PEG 8000, 40 mM KH2PO4