9KAH

Crystal Structure of Chalcone Syntase and Chalcone Isomerase-like Protein Complex from Physcomitrella patens

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	2023-10-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	79.900, 88.870, 117.970
Unit cell angles	74.44, 74.32, 68.80

Refinement procedure

Resolution	49.186 - 1.920
Rwork	0.177
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.538
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	2.040
High resolution limit [Å]	1.920	1.920
Rmeas	0.170	1.130
Number of reflections	216275	34942
<I/σ(I)>	5.16	1.01
Completeness [%]	98.9	99.1
Redundancy	2.89	2.94
CC(1/2)	0.986	0.610

Crystallization Conditions

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