8IJ7

Crystal structure of alcohol dehydrogenase from Burkholderia gladioli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	108.402, 109.407, 217.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.350 - 2.540
R-factor	0.2488
Rwork	0.246
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond angle	11.818
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.350	2.650
High resolution limit [Å]	2.540	2.540
Number of reflections	40594	40594
<I/σ(I)>	16.9
Completeness [%]	94.5
Redundancy	10.8
CC(1/2)	0.980	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	18% MPD, 18% PEG1000, 18% PEG3350, 0.1M HEPES, pH7.5