8CJ9

Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]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	2017-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979340
Spacegroup name	P 1
Unit cell lengths	45.780, 50.690, 110.440
Unit cell angles	92.43, 90.09, 108.77

Refinement procedure

Resolution	28.210 - 1.930
R-factor	0.19
Rwork	0.188
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS (BUILT=20170615)
Data scaling software	XDS (BUILT=20170615)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	1.930	5.740	1.930
Rmerge	0.121	0.050	0.837
Rmeas	0.144	0.059	0.994
Rpim	0.076		0.501
Number of reflections	68243	2598	10507
<I/σ(I)>	6.66		1.1
Completeness [%]	96.1		91.8
Redundancy	3.5		3.4
CC(1/2)	0.993	0.995	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	100 mM HEPES, 27% PEG 4K