8H2A

Crystal structure of alcohol dehydrogenase from Formosa agariphila

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	2020-12-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	98.492, 157.204, 98.569
Unit cell angles	90.00, 103.50, 90.00

Refinement procedure

Resolution	48.190 - 2.500
R-factor	0.2256
Rwork	0.225
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ljh
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	98086	4819
<I/σ(I)>	12.78
Completeness [%]	97.5
Redundancy	5.7
CC(1/2)	0.976	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris-HCl, pH 7.5, KCl and PEG 3350