9PLY

Crystal structure of the human DCAF1 WDR domain in complex with OICR-40156

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 EIGER X 9M
Wavelength(s)	0.95369
Spacegroup name	P 1 21 1
Unit cell lengths	49.350, 88.600, 73.409
Unit cell angles	90.00, 98.01, 90.00

Refinement procedure

Resolution	44.340 - 1.400
R-factor	0.14724
Rwork	0.146
R-free	0.17423
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.135
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	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.068	0.042	0.675
Rmeas	0.074	0.046	0.752
Rpim	0.028	0.017	0.323
Total number of observations	801001
Number of reflections	121825	6218	5722
<I/σ(I)>	8.6
Completeness [%]	99.4	99.4	93.3
Redundancy	6.6	6.9	4.9
CC(1/2)	0.997	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350, 0.2 M Magnesium formate