7QFX

Crystal structure of Old Yellow Enzyme AnOYE8 from Aspergillus niger

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	2021-01-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8730
Spacegroup name	C 1 2 1
Unit cell lengths	157.533, 65.388, 181.417
Unit cell angles	90.00, 107.76, 90.00

Refinement procedure

Resolution	39.950 - 2.800
Rwork	0.241
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lnj
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.980	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.131	0.595
Number of reflections	43316	4327
<I/σ(I)>	13.2	3
Completeness [%]	97.0	95
Redundancy	4.8	4.2
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18 % w/v PEG 5000 MME, 0.1 M MES pH 6.5, 0.2 M ammonium sulphate