6YAO

Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea

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	2015-11-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.978
Spacegroup name	P 43 21 2
Unit cell lengths	79.713, 79.713, 203.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.280 - 2.000
R-factor	0.196
Rwork	0.194
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oal
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.280	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	45358	6274
<I/σ(I)>	17.3
Completeness [%]	99.7
Redundancy	7.21
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	Hepes, MPD