6TWJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	C 1 2 1
Unit cell lengths	120.370, 123.140, 61.490
Unit cell angles	90.00, 97.18, 90.00

Refinement procedure

Resolution	43.340 - 2.150
R-factor	0.2294
Rwork	0.228
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bws
RMSD bond length	0.005
RMSD bond angle	0.761
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]	47.720	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.087	0.621
Number of reflections	47539	4593
<I/σ(I)>	8.96	1.58
Completeness [%]	98.3
Redundancy	3
CC(1/2)	0.995	0.659

Crystallization Conditions

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