7FJG

Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-26
Detector	DECTRIS PILATUS3 X CdTe 2M
Wavelength(s)	0.9796
Spacegroup name	I 2 2 2
Unit cell lengths	64.426, 79.351, 212.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.530 - 2.720
R-factor	0.2121
Rwork	0.207
R-free	0.27210
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.561
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.530	2.817
High resolution limit [Å]	2.719	2.719
Number of reflections	14933	752
<I/σ(I)>	11.875
Completeness [%]	98.5
Redundancy	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	279	1.8M Ammonium phosphate monobasic, 0.1M HEPES pH 7.5