9UUD

Stilbene synthase of Cenchrus americanus co-crystallized with malonyl-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 PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	I 2 2 2
Unit cell lengths	104.350, 137.380, 179.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.070 - 1.640
Rwork	0.157
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.034
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]	47.070	1.740
High resolution limit [Å]	1.640	1.640
Number of reflections	156859	25172
<I/σ(I)>	14.53
Completeness [%]	99.9
Redundancy	13.45
CC(1/2)	0.999	0.402

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