9B9H

Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1808
Spacegroup name	P 21 21 21
Unit cell lengths	84.213, 85.143, 111.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.570 - 2.060
R-factor	0.2117
Rwork	0.211
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.658
RMSD bond angle	1.836
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.570	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.016	0.641
Rmeas	0.023	0.906
Rpim	0.016	0.641
Number of reflections	49405	2399
<I/σ(I)>	25.11	1.05
Completeness [%]	95.2
Redundancy	2
CC(1/2)	1.000	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	5% w/v 1-ethyl-3-methylimidazolium ethyl sulfate, 15% w/v polyethylene glycol 20,000, pH 7.9