7TN5

Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 (ITPK1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	98.883, 98.883, 215.915
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.490 - 2.900
R-factor	0.1797
Rwork	0.177
R-free	0.22660
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.794
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	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.068	0.022	0.873
Rmeas	0.071	0.023	0.907
Rpim	0.019	0.007	0.245
Total number of observations	188525
Number of reflections	14458	827	700
<I/σ(I)>	12.7
Completeness [%]	98.4	94.7	99.6
Redundancy	13	11.4	13
CC(1/2)		0.998	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1 M potassium sodium tartrate, 100 mM imidazole, pH 8.0, 200 mM sodium chloride