9NSN

Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41059

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-31
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	80.158, 84.107, 130.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.010 - 1.850
R-factor	0.1979
Rwork	0.196
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.042
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.010	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.084	0.906
Rmeas	0.093	1.117
Rpim	0.038	0.640
Total number of observations	405646	10671
Number of reflections	75444	4190
<I/σ(I)>	12.7	1.1
Completeness [%]	99.5
Redundancy	5.4	2.5
CC(1/2)	0.997	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.15 M cesium chloride, 15% PEG3350