7BN7

Crystal structure of ene-reductase OYE2 from S. cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	105.286, 131.975, 138.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.190 - 2.450
R-factor	0.1908
Rwork	0.189
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oya
RMSD bond length	0.012
RMSD bond angle	1.542
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.190	2.538
High resolution limit [Å]	2.450	2.450
Rmerge	0.096	0.765
Total number of observations	394986
Number of reflections		26082
<I/σ(I)>	12.1	2.3
Completeness [%]	99.8
Redundancy	5.5
CC(1/2)	0.996	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8 % w/v PEG 20,000/ 0.1 M Sodium acetate pH 4.5 0.25 M Potassium bromide 8 % v/v PEG 550 MME