6TWM

Product bound structure of the Ectoine utilization protein EutE (DoeB) from Ruegeria pomeroyi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	76.667, 145.949, 164.116
Unit cell angles	90.00, 92.30, 90.00

Refinement procedure

Resolution	46.640 - 2.500
R-factor	0.2093
Rwork	0.209
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6twl
RMSD bond length	0.004
RMSD bond angle	0.748
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.640	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.213	1.275
Number of reflections	122999	12342
<I/σ(I)>	5.69	0.97
Completeness [%]	98.6
Redundancy	3.9
CC(1/2)	0.984	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bicine pH 9.0, 20% (wt/vol) PEG 6000