9UGT

Structure of Butanol Dehydrogenase in Complex with ADP and Co

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-08-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.9793
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	35.490 - 2.720
R-factor	0.2056
Rwork	0.201
R-free	0.24900
Structure solution method	MAD
RMSD bond angle	10.468
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	14951	725
<I/σ(I)>	11.875
Completeness [%]	100.0
Redundancy	12.4
CC(1/2)	0.947	0.707

Crystallization Conditions

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