6S0G

Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria

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	2017-07-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0725
Spacegroup name	P 2 21 21
Unit cell lengths	56.745, 76.662, 88.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 1.450
R-factor	0.1872
Rwork	0.187
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwj
RMSD bond length	0.034
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.610	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.070	0.630
Rpim	0.030	0.260
Number of reflections	880814	45283
<I/σ(I)>	18	3.6
Completeness [%]	99.8	99.8
Redundancy	12.7	12.8
CC(1/2)	0.998	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M MgCl2 hexahydrate or 0.2 M CaCl2 dihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 6000