8BB3

Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-11
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999995
Spacegroup name	P 1 21 1
Unit cell lengths	47.572, 189.858, 49.723
Unit cell angles	90.00, 117.64, 90.00

Refinement procedure

Resolution	42.910 - 1.800
R-factor	0.1943
Rwork	0.193
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q2j
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.460	47.460	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.080	0.032	1.047
Rmeas	0.088	0.034	1.149
Rpim	0.036	0.014	0.467
Total number of observations	411472	3490	23741
Number of reflections	70262	600	4054
<I/σ(I)>	12.2	42.4	1.6
Completeness [%]	97.7	99	95.8
Redundancy	5.9	5.8	5.9
CC(1/2)	0.999	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	21-26% PEG 3350 0.4-1 M KSCN 0.1 M HEPES