8FET

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-31
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	163.203, 163.203, 206.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.140 - 2.202
R-factor	0.2075
Rwork	0.207
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.878
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.140	2.280
High resolution limit [Å]	2.202	2.202
Number of reflections	70362	6871
<I/σ(I)>	13.96
Completeness [%]	99.3	98.61
Redundancy	13.1
CC(1/2)	0.999	0.724

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