9UUC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	I 2 2 2
Unit cell lengths	105.190, 139.470, 180.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 1.882
Rwork	0.187
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.439
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]	47.480	2.000
High resolution limit [Å]	1.880	1.880
Number of reflections	106865	16965
<I/σ(I)>	9.61
Completeness [%]	99.5
Redundancy	11.45
CC(1/2)	0.996	0.486

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