8GOA

Crystal Structure of Glycerol Dehydrogenase in the absence of NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 43 21 2
Unit cell lengths	161.470, 161.470, 291.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 2.900
R-factor	0.1937
Rwork	0.192
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zxl
RMSD bond length	0.008
RMSD bond angle	0.914
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.240	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	86081	4204
<I/σ(I)>	6.8
Completeness [%]	99.6
Redundancy	8.7
CC(1/2)	0.990	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium citrate (pH 5.6), 500 mM ammonium sulfate, and 1 M lithium sulfate