6PAI

Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and sulfonamide E7820

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-31
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	81.507, 94.767, 145.706
Unit cell angles	90.00, 98.06, 90.00

Refinement procedure

Resolution	49.450 - 2.900
R-factor	0.2104
Rwork	0.208
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3E0C & 2JRS
RMSD bond length	0.003
RMSD bond angle	1.126
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.087	0.043	0.487
Rmeas	0.102	0.050	0.575
Rpim	0.052	0.025	0.298
Number of reflections	47114	2436	2204
<I/σ(I)>	6.5		1.4
Completeness [%]	96.9	96.4	92.3
Redundancy	3.6	3.7	3.3
CC(1/2)		0.996	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M sodium HEPES, pH 7.0, 15% w/v PEG4000