9YE4

Crystal structure of the human DCAF1 WDR domain in complex with OICR-41110

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	2024-05-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.18049
Spacegroup name	P 1 21 1
Unit cell lengths	48.858, 87.712, 73.828
Unit cell angles	90.00, 98.43, 90.00

Refinement procedure

Resolution	48.380 - 1.740
R-factor	0.18746
Rwork	0.186
R-free	0.22444
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.285
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.047	0.026	0.903
Rmeas	0.051	0.029	0.987
Rpim	0.020	0.011	0.394
Total number of observations	414252
Number of reflections	63218	3255	3140
<I/σ(I)>	8.9
Completeness [%]	99.8	99.7	99.7
Redundancy	6.6	6.6	6.1
CC(1/2)	0.998	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% w/v PEG 3350, 0.1 M Ammonium Sulphate, 0.1 M Bis-Tris pH 5.5