6WON

Crystal structure of acetoin dehydrogenase YohF from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2018-12-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.549, 114.171, 219.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 2.130
R-factor	0.161
Rwork	0.160
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ux3
RMSD bond length	0.007
RMSD bond angle	0.795
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.061	0.550
Rpim	0.039	0.244
Number of reflections	103094	5055
<I/σ(I)>	17.35	2.05
Completeness [%]	100.0	99.9
Redundancy	5.8
CC(1/2)		0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2 M lithium sulfate monohydrate, 25% (w/v) PEG3350, 0.1 M bis-Tris pH 6.5, cryoprotectant: paratone