3CEA

Crystal structure of myo-inositol 2-dehydrogenase (NP_786804.1) from Lactobacillus plantarum at 2.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97941, 0.97883
Spacegroup name	P 1 21 1
Unit cell lengths	47.331, 145.684, 100.208
Unit cell angles	90.00, 91.92, 90.00

Refinement procedure

Resolution	29.450 - 2.400
R-factor	0.196
Rwork	0.193
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.934
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.450	29.450	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.133	0.045	0.429
Total number of observations		2171	7021
Number of reflections	52411
<I/σ(I)>	9.3	13.5	1.9
Completeness [%]	99.0	95.1	91.8
Redundancy	3.6	3.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 0.2M MgCl2, 20.0% PEG 1000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K