8ZA2

lbADH mutant L195S/V196L with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03845
Spacegroup name	I 41 2 2
Unit cell lengths	188.670, 188.670, 128.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.740 - 2.780
R-factor	0.188
Rwork	0.187
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.530
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.470	2.930
High resolution limit [Å]	2.780	2.780
Number of reflections	29417	4249
<I/σ(I)>	8.2
Completeness [%]	100.0
Redundancy	25.8
CC(1/2)	0.992	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	2 M ammonium sulfate 0.1 M Tirs pH 8.5