4MKX

Crystal Structure of apo scyllo-inositol dehydrogenase from Lactobacillus casei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	293
Detector technology	CCD
Collection date	2012-06-26
Detector	RAYONIX MX-300
Wavelength(s)	0.97952
Spacegroup name	I 2 2 2
Unit cell lengths	43.920, 123.330, 132.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.065 - 1.600
R-factor	0.2023
Rwork	0.201
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.072
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.155	35.065	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.043	0.563
Total number of observations		11123	50153
Number of reflections	47857
<I/σ(I)>	12.3	13.6	1.1
Completeness [%]	100.0	99.2	100
Redundancy	7.3	6.8	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5	298	1:1 2.8 M ammonium sulfate + 0.18 M citric acid, pH 5.0 to 25 mM Tris-Hcl, pH 8.0, MICROBATCH, temperature 298K