8SRL

Crystal structure of T151V 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	2023-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	100.888, 100.888, 448.169
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.130 - 2.010
R-factor	0.16857
Rwork	0.167
R-free	0.19136
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.130	2.130
High resolution limit [Å]	2.010	2.010
Rmerge	0.152	2.377
Number of reflections	177907	28339
<I/σ(I)>	12.77
Completeness [%]	99.9	99.7
Redundancy	10.1
CC(1/2)	0.998	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	42% sodium polyacrylate 2100 0.05 M HEPES-NaOH pH 7