8CM2

Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide

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	2018-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980113
Spacegroup name	P 43 21 2
Unit cell lengths	79.530, 79.530, 203.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.210 - 2.050
R-factor	0.208
Rwork	0.206
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS (BUILT=20220220)
Data scaling software	XDS (BUILT=20220220)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	2.170
High resolution limit [Å]	2.050	2.050
Rmeas	0.168	3.112
Rpim	0.032	0.588
Number of reflections	41891	6614
<I/σ(I)>	16	1
Completeness [%]	100.0	100
Redundancy	26.7	26.8
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5, 21% MPD, 1 mM inhibitor and the enzyme at concentration of 7.9 mg/ml in the starting drop