9K8U

Ethanol dehydrogenase of Bursaphelenchus xylophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	64.707, 152.773, 63.792
Unit cell angles	90.00, 95.73, 90.00

Refinement procedure

Resolution	43.100 - 2.810
R-factor	0.2597
Rwork	0.258
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.480	2.980
High resolution limit [Å]	2.810	2.810
Rmerge		1.725
Rmeas	0.184
Number of reflections	29682	4676
<I/σ(I)>	7.55	0.97
Completeness [%]	98.8
Redundancy	6.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Dilithium sulfate 0.1M Hepes 0.1M PH7.5 PEG3350 25%