9WGK

Crystal structure of OcuKAI2d2 from Orobanche cumana bound to Dehydrocostus Lactone

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 64 2 2
Unit cell lengths	150.840, 150.840, 57.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.820 - 2.450
Rwork	0.187
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.689
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (REFMACAT 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.550
High resolution limit [Å]	2.450	2.450
Number of reflections	14697	1589
<I/σ(I)>	19	0.9
Completeness [%]	99.9	98.8
Redundancy	20
CC(1/2)	0.750	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350