8IJ6

Crystal structure of alcohol dehydrogenase from Burkholderia gladioli with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	106.830, 109.590, 215.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.420 - 2.280
R-factor	0.2025
Rwork	0.201
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	10.709
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.430	2.410
High resolution limit [Å]	2.280	2.280
Number of reflections	56690	56690
<I/σ(I)>	1.34
Completeness [%]	98.0
Redundancy	104
CC(1/2)	0.997	0.773

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