7BUR

Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin

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	2019-07-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	54.640, 97.990, 157.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.730 - 1.820
Rwork	0.151
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxa
RMSD bond length	0.010
RMSD bond angle	1.633
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]	47.730	1.930
High resolution limit [Å]	1.820	1.820
Rmerge	0.181	1.868
Rmeas	0.188	1.946
Number of reflections	1023907	12199
<I/σ(I)>	15.76	1.78
Completeness [%]	100.0	99.9
Redundancy	13.35	12.72
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	30% PEG4000, 0.2M ammonium acetate, 0.1M sodium citrate (pH 5.6).