8FEM

Panicum vigratum Dihydroflavonol 4-reductase complexed with NADP

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	P 42 21 2
Unit cell lengths	119.177, 119.177, 56.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.160 - 2.340
R-factor	0.2089
Rwork	0.206
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c29
RMSD bond length	0.005
RMSD bond angle	0.691
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.340	6.350	2.340
Rmerge	0.182	0.051	1.391
Rmeas	0.190
Rpim	0.051
Number of reflections	17651	1660	1619
<I/σ(I)>	4.4
Completeness [%]	99.8	100	97.4
Redundancy	7.3	7.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Tris: HCl, pH 8.5 25 % (w/v) PEG 3350