9YV4

Crystal structure of the human DCAF1 WDR domain in complex with OICR-41109

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	2024-05-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.18049
Spacegroup name	P 1 2 1
Unit cell lengths	73.009, 51.263, 79.970
Unit cell angles	90.00, 90.72, 90.00

Refinement procedure

Resolution	43.190 - 1.600
R-factor	0.17691
Rwork	0.177
R-free	0.19364
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.486
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.080	0.039	0.802
Rmeas	0.088	0.043	0.900
Rpim	0.038	0.019	0.402
Total number of observations	414398
Number of reflections	78143	4069	3881
<I/σ(I)>	7.5
Completeness [%]	99.7	99.9	99.5
Redundancy	5.3	5.3	4.7
CC(1/2)	0.996	0.997	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	25% w/v PEG 3350, 0.2 M Magnesium Chloride, 0.1 M Tris pH 8.5