7TN6

Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1-H192A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	98.161, 98.161, 202.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.740 - 2.850
R-factor	0.2269
Rwork	0.224
R-free	0.27100
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.897
Data reduction software	xia2
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.850	7.730	2.850
Rmerge	0.085	0.062	0.816
Rmeas	0.089	0.065	0.848
Rpim	0.025	0.020	0.228
Total number of observations	180691
Number of reflections	14039	829	678
<I/σ(I)>	12
Completeness [%]	98.6	97.9	98.8
Redundancy	12.9	10.7	13.3
CC(1/2)		0.991	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	12% PEG3350, 100mM HEPES 7.0, 200mM CaAc2 and 10% Glycerol