7BU3

Structure of alcohol dehydrogenase YjgB in complex with NADP from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	64.970, 138.990, 168.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.550 - 2.000
R-factor	0.1616
Rwork	0.160
R-free	0.19950
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7bu2
RMSD bond length	0.008
RMSD bond angle	0.903
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.18_3845: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.550	1.490
High resolution limit [Å]	1.450	1.450
Number of reflections	134685	9859
<I/σ(I)>	8.07
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.998	0.038

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl, pH 7.0, 16% (w/v) PEG 3350 , 0.2 M Lithium Sulfate, 5 mM NADPH