7YJA

Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA and Pinocembrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	77.763, 72.374, 83.492
Unit cell angles	90.00, 97.37, 90.00

Refinement procedure

Resolution	46.387 - 2.170
R-factor	0.1825
Rwork	0.181
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vey
RMSD bond length	0.016
RMSD bond angle	1.599
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.390	2.248
High resolution limit [Å]	2.170	2.170
Number of reflections	42013	2889
<I/σ(I)>	8.5
Completeness [%]	86.1
Redundancy	5
CC(1/2)	0.977	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350