6TWK

Substrate bound structure of the Ectoine utilization protein EutD (DoeA) from Halomonas elongata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.873127
Spacegroup name	P 41 21 2
Unit cell lengths	158.200, 158.200, 122.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.880 - 2.250
Rwork	0.169
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6twj
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.420	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.147	1.466
Number of reflections	78809	6599
<I/σ(I)>	10.69	1.65
Completeness [%]	100.0
Redundancy	8.9
CC(1/2)	0.997	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M trisodium citrate, 20% (wt/vol) PEG 3350