9UUE

Stilbene synthase of Cenchrus americanus co-crystallized with p-coumaroyl-CoA and malonyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.918
Spacegroup name	I 2 2 2
Unit cell lengths	104.540, 138.150, 179.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.180 - 1.770
Rwork	0.172
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.944
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.180	1.880
High resolution limit [Å]	1.770	1.770
Number of reflections	126334	20221
<I/σ(I)>	11.63
Completeness [%]	100.0
Redundancy	13.39
CC(1/2)	0.998	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.25 M sodium citrate tribasic, 0.1 M HEPES pH 8.0