4MIY

Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and myo-inositol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-06
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	106.711, 110.624, 127.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.058 - 1.420
R-factor	0.1871
Rwork	0.186
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	1.486
Data reduction software	XDS
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.420	48.058	1.500
High resolution limit [Å]	1.420	4.490	1.420
Rmerge		0.043	0.802
Total number of observations		64165	219371
Number of reflections	279567
<I/σ(I)>	17.7	12	0.9
Completeness [%]	99.3	99.9	97.5
Redundancy	6.7	6.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	298	ammonium sulfate, pH 6.5, MICROBATCH, temperature 298K