6L1K

Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	64.773, 78.846, 215.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.420 - 1.970
R-factor	0.1788
Rwork	0.177
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vlj
RMSD bond length	0.008
RMSD bond angle	0.799
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]	50.000	2.010
High resolution limit [Å]	1.970	1.980
Number of reflections	39074	39063
<I/σ(I)>	21.37
Completeness [%]	100.0
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	2.0M Ammonium phosphate monobasic, 0.1M TRIS hydrochloride pH 8.5