4XF7

myo-inositol 3-kinase bound with its substrates (AMPPCP and myo-inositol)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.134, 81.176, 81.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.320 - 1.930
R-factor	0.2178
Rwork	0.216
R-free	0.25460
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3w4s
RMSD bond length	0.010
RMSD bond angle	1.503
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.930
Number of reflections	38880
<I/σ(I)>	26.3
Completeness [%]	99.7
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, NH4I