7BU2

Structure of alcohol dehydrogenase YjgB 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	2015-07-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	133.138, 64.470, 81.663
Unit cell angles	90.00, 106.14, 90.00

Refinement procedure

Resolution	25.015 - 1.553
R-factor	0.1623
Rwork	0.161
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yqd
RMSD bond length	0.013
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	95566	4760
<I/σ(I)>	36.2
Completeness [%]	100.0
Redundancy	7.4
CC(1/2)	0.975	0.894

Crystallization Conditions

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