7Q2J

Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	P 1 21 1
Unit cell lengths	47.702, 190.809, 48.698
Unit cell angles	90.00, 115.25, 90.00

Refinement procedure

Resolution	47.750 - 2.500
R-factor	0.2459
Rwork	0.243
R-free	0.29320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h9m
RMSD bond length	0.005
RMSD bond angle	1.429
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.750	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	26976	3045
<I/σ(I)>	8.8
Completeness [%]	99.3
Redundancy	7.1
CC(1/2)	0.997	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	21% PEG 3350 0.4 M KSCN 0.1 M HEPES 6.8