8ZAV

alcohol dehydrogenases KpADH mutant - S9Y/F161K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-01
Detector	Bruker PHOTON II
Wavelength(s)	1.54178
Spacegroup name	P 61
Unit cell lengths	103.440, 103.440, 134.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.340 - 2.900
R-factor	0.24179
Rwork	0.239
R-free	0.28837
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.171
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.340	3.070
High resolution limit [Å]	2.900	2.900
Number of reflections	17103	2824
<I/σ(I)>	4.8
Completeness [%]	93.9
Redundancy	3.6
CC(1/2)	0.940	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Crystal Screen