6KTJ

Crystal structure of scyllo-inositol dehydrogenase R178A mutant, apo-form, from Paracoccus laeviglucosivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-11-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	91.660, 128.779, 138.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 2.100
R-factor	0.182
Rwork	0.181
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yab
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.462
Number of reflections	94977	4688
<I/σ(I)>	14.3
Completeness [%]	99.3
Redundancy	3.3
CC(1/2)	0.986	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate pH 5.2, and 20% PEG3350