4Q5O

Crystal structure of EctD from S. alaskensis with 2-oxoglutarate and 5-hydroxyectoine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	298
Detector technology	CCD
Collection date	2013-11-17
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 21
Unit cell lengths	81.004, 87.076, 94.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.640
R-factor	0.21
Rwork	0.206
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mhr
RMSD bond length	0.021
RMSD bond angle	1.972
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.640	2.640
Number of reflections	20236
Completeness [%]	99.7	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	273	100 mM MES pH 6.0, 200 mM Ca-acetate, 30% (w/v) PEG 400 , VAPOR DIFFUSION, HANGING DROP, temperature 273K