6H0F

Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	161.450, 177.860, 242.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.850 - 3.250
R-factor	0.213
Rwork	0.212
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fqd
RMSD bond length	0.015
RMSD bond angle	0.970
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.850	39.850	3.310
High resolution limit [Å]	3.250	17.800	3.250
Rmerge	0.345	0.060	2.743
Rmeas	0.351	0.061	2.870
Rpim	0.061	0.010	0.822
Number of reflections	104192	700	2706
<I/σ(I)>	11.5
Completeness [%]	94.4	91.3	50.1
Redundancy	31.3	34.3	11.3
CC(1/2)	0.997	1.000	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Protein solution: 350 uM IKZF1-ZF2, 70 uM DDB1/CRBN, 80 uM pomalidomide in 50 mM HEPES pH 7.4, 200 mM NaCl, 0.25 mM TCEP Crystallisation solution: (Morpheus HT condition) 100 mM Morpheus buffer system 1 pH 6.5, 10% (v/v) Morpheus NPS solution, 15% (v/v) ethylene glycol and 9.5% (w/v) poly(ethylene glycol) 5000 monomethyl ether.