8FU2

Crystal structure of T151G CAO1 in complex with piceatannol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	101.305, 101.305, 449.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.990 - 1.900
R-factor	0.17219
Rwork	0.171
R-free	0.19335
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.104
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.117	1.634
Number of reflections	210597	33485
<I/σ(I)>	17.53	1.09
Completeness [%]	99.9
Redundancy	9.6
CC(1/2)	0.999	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	0.1 M HEPES-NaOH, pH 7, 42% sodium polyacrylate 2100, 10 mM piceatannol