7YJ5

Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1)

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 2 21 21
Unit cell lengths	64.981, 72.632, 82.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.789 - 1.701
R-factor	0.1544
Rwork	0.153
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vey
RMSD bond length	0.006
RMSD bond angle	0.766
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]	41.789	1.762
High resolution limit [Å]	1.700	1.701
Number of reflections	40032	2862
<I/σ(I)>	18.9
Completeness [%]	91.6
Redundancy	12.2
CC(1/2)	0.994	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M trimethylamine N-oxide, 0.1 M Tris-HCl pH 8.5, 20% (w/v) PEG MME 200