6UFX

WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-10
Detector	RAYONIX MX300HE
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	78.625, 98.896, 80.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.746 - 2.015
R-factor	0.171
Rwork	0.169
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg6
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.162	1.035
Rmeas	0.169	1.085
Rpim	0.048	0.319
Number of reflections	20876	1005
<I/σ(I)>	19.6	3.41
Completeness [%]	100.0
Redundancy	12.1
CC(1/2)	0.998	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bis-Tris or HEPES or Tris-HCl, pH 6.0-8.0, 0.2 M ammonium acetate, 20-30% PEG3350