9NYO

Clostridium acetobutylicum alcohol dehydrogenase bound to NADP+, disordered nicotinamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	62.289, 62.660, 124.479
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.600 - 1.750
R-factor	0.1904
Rwork	0.189
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.913
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.020	1.780
High resolution limit [Å]	1.750	1.750
Rmeas	0.105	4.022
Number of reflections	49905	2707
<I/σ(I)>	14.6	0.7
Completeness [%]	99.9	99.8
Redundancy	10.4	10
CC(1/2)	1.000	0.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	7% PEG 1500 and 0.1M imidazole pH7.5