6E23

Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity

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	2018-07-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	46.888, 54.215, 64.517
Unit cell angles	70.19, 88.80, 74.41

Refinement procedure

Resolution	36.415 - 1.660
R-factor	0.1826
Rwork	0.182
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d9x
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX ((dev_3139: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.061	0.474
Number of reflections	65103
<I/σ(I)>	10.5
Completeness [%]	95.9
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris pH 6.0 or Hepes pH 7.5, 0.2 M ammonium acetate, 28% to 32% PEG3350