8CK6

Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 65
Unit cell lengths	101.700, 101.700, 128.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.040 - 1.900
R-factor	0.175
Rwork	0.174
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.980
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]	47.300	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.210	2.228
Rmeas	0.216	2.211
Rpim	0.046	0.472
Number of reflections	59038	9517
<I/σ(I)>	11.1
Completeness [%]	100.0	100
Redundancy	21.3	21.3
CC(1/2)	0.998	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	15% PEG 1500, 50 mM Tris-HCl pH 8.0, 1.5 mM inhibitor, 20% glycerol for cryoprotection