7TN7

Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1 residues 18-218-Gly-Ser-Gly-Ser-Gly-248-328)

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	2020-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	99.256, 99.256, 217.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.060 - 2.250
R-factor	0.1946
Rwork	0.193
R-free	0.22030
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.868
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	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.061	0.037	0.750
Rmeas	0.062	0.038	0.760
Rpim	0.010	0.007	0.126
Total number of observations	1069688
Number of reflections	30855	1761	1500
<I/σ(I)>	11.5
Completeness [%]	99.8	99	100
Redundancy	34.7	32.5	35.5
CC(1/2)		0.997	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.4 M ammonium phosphate dibasic, 20% ethylene glycol, 100 mM Tris, pH 8.0