5ONO

Crystal Structure of Ectoine Synthase from P. lautus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.988
Spacegroup name	P 31 2 1
Unit cell lengths	71.418, 71.418, 68.838
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.007 - 2.500
R-factor	0.1906
Rwork	0.185
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bxx
RMSD bond length	0.014
RMSD bond angle	1.481
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.010
High resolution limit [Å]	2.500
Rmerge	0.082
Number of reflections	7282
<I/σ(I)>	8.2
Completeness [%]	99.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.2	298	0.2 M ammonium sulfate, 0.1 M phosphate citrate pH 4.2, 20% (v/v) PEG 300, 10% (v/v) glycerol.