9BHR

Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-28
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.95370
Spacegroup name	P 1 21 1
Unit cell lengths	48.769, 87.869, 73.243
Unit cell angles	90.00, 97.44, 90.00

Refinement procedure

Resolution	43.970 - 1.620
R-factor	0.14983
Rwork	0.148
R-free	0.18727
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.338
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.650
High resolution limit [Å]	1.620	4.400	1.620
Rmerge	0.106	0.061	0.751
Rmeas	0.115	0.066	0.827
Rpim	0.044	0.025	0.339
Total number of observations	509143
Number of reflections	76756	4008	3364
<I/σ(I)>	8
Completeness [%]	97.1	99.2	86.1
Redundancy	6.6	6.9	5.1
CC(1/2)	0.995	0.996	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2 M Magnesium formate