9D4E

Crystal structure of the human DCAF1 WDR domain in complex with OICR-41103

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	48.574, 87.975, 73.136
Unit cell angles	90.00, 96.94, 90.00

Refinement procedure

Resolution	48.260 - 1.700
R-factor	0.1798
Rwork	0.178
R-free	0.20634
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.328
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.051	0.030	0.981
Rmeas	0.055	0.032	1.071
Rpim	0.021	0.013	0.424
Total number of observations	433136
Number of reflections	67209	3448	3357
<I/σ(I)>	10
Completeness [%]	99.8	99.9	99.1
Redundancy	6.4	6.5	6
CC(1/2)	0.994	0.998	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% w/v PEG 3350, 0.2 M di-Ammonium Citrate