1Z2N

Inositol 1,3,4-trisphosphate 5/6-kinase complexed Mg2+/ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	95
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	38.359, 94.267, 47.276
Unit cell angles	90.00, 110.26, 90.00

Refinement procedure

Resolution	47.000 - 1.200
R-factor	0.182
Rwork	0.182
R-free	0.20500
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.300
High resolution limit [Å]	1.200	1.200
Rmerge	0.047	0.246
Number of reflections	91950
Completeness [%]	99.0
Redundancy		99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	278	25% PEG 3350, 0.1 M bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K, pH 5.50
1		5.5	278	25% PEG 3350, 0.1 M bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K, pH 5.50
1		5.5	278	25% PEG 3350, 0.1 M bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K, pH 5.50
1		5.5	278	25% PEG 3350, 0.1 M bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K, pH 5.50