9D7J

Clostridium acetobutylicum alcohol dehydrogenase bound to NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	62.261, 62.592, 123.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.410 - 1.390
R-factor	0.1412
Rwork	0.139
R-free	0.17420
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.062
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.920	1.410
High resolution limit [Å]	1.390	1.390
Rmeas	0.063	1.598
Number of reflections	94445	4493
<I/σ(I)>	13.3	1.2
Completeness [%]	97.1
Redundancy	5.1
CC(1/2)	0.997	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	6% PEG 6000, 0.1M HEPES pH=7.5, 4% 2,4-methylpentanediol (MPD)