9BHS

Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	48.442, 87.884, 73.075
Unit cell angles	90.00, 96.75, 90.00

Refinement procedure

Resolution	42.500 - 1.430
R-factor	0.14194
Rwork	0.141
R-free	0.16957
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.348
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.450
High resolution limit [Å]	1.430	3.880	1.430
Rmerge	0.045	0.027	0.463
Rmeas	0.049	0.029	0.511
Rpim	0.019	0.011	0.210
Total number of observations	721964
Number of reflections	108966	5654	4542
<I/σ(I)>	8.9
Completeness [%]	97.3	98.9	81.7
Redundancy	6.6	6.9	5.5
CC(1/2)	0.999	0.999	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30% PEG2000 Monoethyl Ether, 0.2 M Potassium Bromide