7BUS

Chalcone synthase from Glycine max (L.) Merr (soybean)

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	54.760, 98.940, 159.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.519 - 2.520
Rwork	0.189
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxa
RMSD bond length	0.006
RMSD bond angle	1.465
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]	159.300	2.670
High resolution limit [Å]	2.520	2.520
Rmerge	0.575	4.306
Rmeas	0.446	4.459
Number of reflections	30056	4702
<I/σ(I)>	6.56	1.08
Completeness [%]	99.7	99.9
Redundancy	15.4	13.88
CC(1/2)	0.973	0.201

Crystallization Conditions

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