9KAJ

Crystal Structure of Chalcone Syntase from Physcomitrella patens complexed with Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	190.170, 198.990, 68.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.130 - 2.640
R-factor	0.1971
Rwork	0.195
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.345
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.640	2.640
Rmeas	0.390	1.800
Number of reflections	76561	12150
<I/σ(I)>	7.82	1.75
Completeness [%]	99.0	98.7
Redundancy	11.7	11.3
CC(1/2)	0.968	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 3350