8CON

Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	63.405, 63.405, 182.153
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.020 - 1.700
R-factor	0.187
Rwork	0.186
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	182.150	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.068	0.711
Rmeas	0.076	0.826
Rpim	0.035	0.411
Number of reflections	47829	2492
<I/σ(I)>	15.1	2.3
Completeness [%]	100.0	100
Redundancy	8.5	7.3
CC(1/2)	0.999	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Hepes-NaOH pH 7.0-8.0, 2% v/v PEG 400 and 2.0 M (NH4)2SO4