4XF6

myo-inositol 3-kinase bound with its products (ADP and 1D-myo-inositol 3-phosphate)

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	77.364, 81.255, 82.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.660 - 2.080
R-factor	0.2052
Rwork	0.203
R-free	0.25020
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3w4s
RMSD bond length	0.012
RMSD bond angle	1.651
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]	2.080
Number of reflections	31830
<I/σ(I)>	21.5
Completeness [%]	99.7
Redundancy	6.8

Crystallization Conditions

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