7VF0

Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1) complex with naringenin and 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	2020-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	74.664, 82.893, 143.161
Unit cell angles	90.00, 103.34, 90.00

Refinement procedure

Resolution	32.477 - 2.399
R-factor	0.1807
Rwork	0.179
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxb
RMSD bond length	0.012
RMSD bond angle	1.227
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]	32.480	2.485
High resolution limit [Å]	2.399	2.399
Number of reflections	63633	5215
<I/σ(I)>	15.09
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.987	0.761

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