8FEV

Flavanone 4-Reductase from Sorghum bicolor-NADP(H) and dihydroquercetin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2022-05-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	165.012, 165.012, 209.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.710 - 2.210
R-factor	0.2025
Rwork	0.202
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.017
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.710	2.289
High resolution limit [Å]	2.210	2.210
Number of reflections	71968	14206
<I/σ(I)>	12.1
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.998	0.355

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