8OV9

Crystal structure of Ene-reductase 1 from black poplar mushroom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	58.310, 59.308, 208.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.580 - 1.410
R-factor	0.1259
Rwork	0.124
R-free	0.15270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	1.430
High resolution limit [Å]	1.410	1.410
Rmerge	0.068	0.444
Rmeas	0.070	0.501
Rpim	0.019	0.229
Number of reflections	867680	6759
<I/σ(I)>	21.57	2.99
Completeness [%]	97.3	50.76
Redundancy	12.8	4.6
CC(1/2)	0.999	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M Bicine pH 9.0, 1.6 M Ammonium sulfate 9