8FEW

Flavanone 4-Reductase from Sorghum bicolor-naringenin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	I 41 2 2
Unit cell lengths	165.069, 165.069, 208.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.610 - 2.020
R-factor	0.2123
Rwork	0.212
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.926
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.610	2.092
High resolution limit [Å]	2.020	2.020
Number of reflections	93749	9256
<I/σ(I)>	20.32
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M HEPES, pH 7.5, 2 M Ammonium Sulfate and 2 % PEG 400