6H0G

Structure of the DDB1-CRBN-pomalidomide complex bound to ZNF692(ZF4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000043
Spacegroup name	P 1 21 1
Unit cell lengths	112.510, 99.530, 166.940
Unit cell angles	90.00, 108.49, 90.00

Refinement procedure

Resolution	48.600 - 4.250
R-factor	0.223
Rwork	0.221
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fqd
RMSD bond length	0.009
RMSD bond angle	0.880
Data reduction software	XDS (Jun 1, 2017 BUILT=20170923)
Data scaling software	XSCALE (Jun 1, 2017 BUILT=20170923)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.600	48.600	4.270
High resolution limit [Å]	4.170	18.630	4.170
Rmerge	0.233	0.063	3.149
Rmeas	0.267	0.071	3.640
Total number of observations	98372
Number of reflections	24386	303	1401
<I/σ(I)>	3.99	17.52	0.45
Completeness [%]	92.0	92.9	73.7
Redundancy	4.034	4.066	3.474
CC(1/2)	0.990	0.996	0.155

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Protein-drug solution: 350 uM ZNF692-ZF4, 70 uM DDB1/CRBN, 80 uM pomalidomide and in 50 mM HEPES pH 7.4, 200 mM NaCl, 0.25 mM TCEP Crystallisation solution: 14.1% (w/v) PEG 5K MME and 70 mM Tris-HCl pH 7.5