6ZI7

Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.772
Spacegroup name	C 1 2 1
Unit cell lengths	247.531, 110.683, 159.285
Unit cell angles	90.00, 129.46, 90.00

Refinement procedure

Resolution	47.920 - 2.280
R-factor	0.18697
Rwork	0.184
R-free	0.24656
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6zhz
RMSD bond length	0.013
RMSD bond angle	2.164
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.110	2.110
Rmerge	0.072	1.470
Number of reflections	373419	60223
<I/σ(I)>	10.52
Completeness [%]	99.1
Redundancy	3.38
CC(1/2)	0.998	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	4.4 M sodium formate (HCOONa)