9Y76

Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120

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	2023-10-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.18061
Spacegroup name	P 1 21 1
Unit cell lengths	48.954, 88.410, 73.556
Unit cell angles	90.00, 97.86, 90.00

Refinement procedure

Resolution	38.830 - 1.560
R-factor	0.16863
Rwork	0.167
R-free	0.20798
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.363
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	1.590
High resolution limit [Å]	1.560	4.230	1.560
Rmerge	0.043	0.028	0.585
Rmeas	0.048	0.031	0.675
Rpim	0.020	0.013	0.329
Total number of observations	446261
Number of reflections	86595	4511	3618
<I/σ(I)>	11.2
Completeness [%]	98.1	99.7	82
Redundancy	5.2	5.5	3.7
CC(1/2)	1.000	0.999	0.566

Crystallization Conditions

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