8JRD

Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin and 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	2020-11-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	54.610, 97.470, 157.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 1.830
R-factor	0.15194
Rwork	0.150
R-free	0.18514
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.717
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.830	1.830
Rmeas	0.220	1.330
Number of reflections	75109	11886
<I/σ(I)>	12.94	2.29
Completeness [%]	100.0	100
Redundancy	15.66	12.3
CC(1/2)	0.997	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	30% PEG 4000, 0.2 M ammonium acetate, 0.1M sodium citrate