9B9T

Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407

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	79.863, 83.714, 130.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.210 - 2.050
R-factor	0.1862
Rwork	0.186
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.102
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]	43.210	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	55308	2779
<I/σ(I)>	14.33
Completeness [%]	99.1
Redundancy	2
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M sodium acetate trihydrate, pH 4.6, 2.0 M sodium formate