7YJ6

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

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 21 21 21
Unit cell lengths	77.141, 92.457, 140.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.228 - 1.704
R-factor	0.168
Rwork	0.168
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vey
RMSD bond length	0.012
RMSD bond angle	1.511
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]	46.228	1.765
High resolution limit [Å]	1.704	1.704
Number of reflections	109603	10347
<I/σ(I)>	28
Completeness [%]	99.3
Redundancy	13.1
CC(1/2)	0.998	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl pH 8.5, 15% (w/v) PEG 6000