6UML

Structural Basis for Thalidomide Teratogenicity Revealed by the Cereblon-DDB1-SALL4-Pomalidomide Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	77.409, 127.725, 110.174
Unit cell angles	90.00, 109.69, 90.00

Refinement procedure

Resolution	38.700 - 3.580
R-factor	0.2066
Rwork	0.204
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tz4
RMSD bond length	0.004
RMSD bond angle	0.679
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	3.640
High resolution limit [Å]	3.580	3.580
Rmerge	0.164	0.570
Rmeas	0.195	0.673
Rpim	0.104	0.355
Number of reflections	23629	2336
<I/σ(I)>	5.04
Completeness [%]	98.4	98.11
Redundancy	3.4	3.5
CC(1/2)	0.964	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	10% PEG MME 500, 8% PEG 20K, 210mM calcium acetate, 100mM tris pH 7.5