7VEY

Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1)

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	2020-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	71.155, 95.462, 246.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.123 - 1.900
R-factor	0.1819
Rwork	0.181
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxb
RMSD bond length	0.009
RMSD bond angle	0.947
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]	41.123	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	197428	12527
<I/σ(I)>	10.96
Completeness [%]	99.4
Redundancy	12.4
CC(1/2)	0.975	0.820

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