8X6M

Crystal Structure of Glycerol Dehydrogenase in the Presence of NAD+ and Glycerol

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	2022-12-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	I 4 2 2
Unit cell lengths	131.893, 131.893, 265.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.000
R-factor	0.17736
Rwork	0.176
R-free	0.20952
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gob
RMSD bond length	0.008
RMSD bond angle	1.572
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.100	2.000
High resolution limit [Å]	2.000	2.000
Number of reflections	78784	3865
<I/σ(I)>	19
Completeness [%]	99.9	99.4
Redundancy	26.1
CC(1/2)	0.999	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Na2HPO4-citrate (pH 4.2), 200 mM NaCl, and 10% (w/v) PEG 3000