8I29

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

Replaces:  7YIP

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	0.20356
Rwork	0.197
R-free	0.25799
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l1k
RMSD bond length	0.008
RMSD bond angle	1.464
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	14920	752
<I/σ(I)>	11.88
Completeness [%]	98.6
Redundancy	12.4
CC(1/2)	0.929	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		279.15	ammonium phosphate, HEPES