4MIE

Crystal Structure of apo myo-inositol dehydrogenase from Lactobacillus casei

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	2011-05-27
Detector	RAYONIX MX300HE
Wavelength(s)	0.97952
Spacegroup name	P 21 21 21
Unit cell lengths	107.110, 110.980, 125.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.590 - 2.000
R-factor	0.191
Rwork	0.189
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mz0
RMSD bond length	0.018
RMSD bond angle	1.128
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.180	41.590	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.039	0.597
Total number of observations		24299	90591
Number of reflections	101470
<I/σ(I)>	13.2	13.3	1.2
Completeness [%]	99.9	99.6	99.6
Redundancy	6.9	7	6.2

Crystallization Conditions

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