7VEZ

Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1) complex with naringenin

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	2020-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	72.259, 82.289, 134.312
Unit cell angles	90.00, 98.94, 90.00

Refinement procedure

Resolution	30.431 - 2.397
R-factor	0.1821
Rwork	0.180
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxb
RMSD bond length	0.014
RMSD bond angle	1.254
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]	30.431	2.483
High resolution limit [Å]	2.397	2.397
Number of reflections	79991	4711
<I/σ(I)>	13.17
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.992	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M sodium chloride, 0.1 M Tris-HCl, 20 % w/v PEG 4000