6BNB

Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET57 PROTAC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97241
Spacegroup name	I 4 2 2
Unit cell lengths	313.355, 313.355, 167.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	147.632 - 6.343
R-factor	0.3387
Rwork	0.337
R-free	0.38050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5FQD chain A/B;3MXF chain A
RMSD bond length	0.011
RMSD bond angle	1.475
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	156.680	7.080
High resolution limit [Å]	6.340	6.340
Rmerge	0.165	2.952
Rmeas	0.172	3.063
Rpim	0.047	0.815
Number of reflections	8992	2370
<I/σ(I)>	15.3	1.3
Completeness [%]	98.1	93.4
Redundancy	25.4	26.2
CC(1/2)	1.000	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.34M NaH2PO4, 0.33M K2HPO4