1Z2P

Inositol 1,3,4-trisphosphate 5/6-Kinase in complex with Mg2+/AMP-PCP/Ins(1,3,4)P3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9687,1.0095,1.007,1.008
Spacegroup name	P 1 21 1
Unit cell lengths	38.237, 94.751, 47.361
Unit cell angles	90.00, 110.40, 90.00

Refinement procedure

Resolution	47.350 - 1.220
R-factor	0.19891
Rwork	0.198
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.248
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]	50.000	1.260
High resolution limit [Å]	1.220	1.220
Number of reflections	86414
Completeness [%]		95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	276	25% PEG 3350, 01. bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 276K
1	VAPOR DIFFUSION, SITTING DROP	5.5	276	25% PEG 3350, 01. bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 276K
1	VAPOR DIFFUSION, SITTING DROP	5.5	276	25% PEG 3350, 01. bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 276K
1	VAPOR DIFFUSION, SITTING DROP	5.5	276	25% PEG 3350, 01. bis-tris, 10 mM DTT, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 276K