8QVY

Human NDPK-C unliganded

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	106.230, 115.510, 82.610
Unit cell angles	90.00, 94.32, 90.00

Refinement procedure

Resolution	47.335 - 2.640
Rwork	0.197
R-free	0.24690
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.335	2.710
High resolution limit [Å]	2.640	2.640
Rmerge	0.127	2.390
Rmeas	0.137	2.571
Number of reflections	28215	2137
<I/σ(I)>	9.45	0.92
Completeness [%]	96.4	98.2
Redundancy	7.3	7.4
CC(1/2)	0.992	0.480

Crystallization Conditions

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