2HUO

Crystal structure of mouse myo-inositol oxygenase in complex with substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	210
Detector technology	CCD
Collection date	2005-09-25
Detector	ADSC QUANTUM 210
Wavelength(s)	1.7389
Spacegroup name	P 21 21 21
Unit cell lengths	44.602, 77.202, 85.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.260 - 2.000
R-factor	0.20641
Rwork	0.204
R-free	0.25627
Structure solution method	SAD from multiple crystals
Starting model (for MR)	NONE
RMSD bond length	0.020
RMSD bond angle	1.745
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.600	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.087	0.602
Number of reflections	20619
<I/σ(I)>	18.9	4
Completeness [%]	100.0	99.9
Redundancy	11.8	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Unbuffered 4.4M sodium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Unbuffered 4.4M sodium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Unbuffered 4.4M sodium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Unbuffered 4.4M sodium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Unbuffered 4.4M sodium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K