5U97

Crystal structure of Co-CAO1 in complex with piceatannol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 32 2 1
Unit cell lengths	101.050, 101.050, 448.184
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.860 - 1.850
R-factor	0.18499
Rwork	0.184
R-free	0.20584
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u8x
RMSD bond length	0.004
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.860	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.110	1.037
Number of reflections	220557	35436
<I/σ(I)>	8.9	1.15
Completeness [%]	96.9
Redundancy	3.5
CC(1/2)	0.996	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	sodium polyacrylate, HEPES 6.5