8F1G

Crystal structure of human WDR5 in complex with compound WM662

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97916
Spacegroup name	P 1 21 1
Unit cell lengths	62.966, 80.243, 64.183
Unit cell angles	90.00, 103.70, 90.00

Refinement procedure

Resolution	40.120 - 2.140
R-factor	0.204
Rwork	0.202
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y7r
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.140	2.140
Rmerge	0.112	0.683
Rpim	5.600	0.357
Number of reflections	31932	2769
<I/σ(I)>	6.5	1.9
Completeness [%]	93.0
Redundancy	3.9
CC(1/2)	0.990	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH=7.4, 25 mM ammonium sulfate, 24% w/v Polyethylene glycol 3350