7MEU

A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	290
Detector technology	CCD
Collection date	2014-02-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	38.812, 73.364, 61.866
Unit cell angles	90.00, 101.36, 90.00

Refinement procedure

Resolution	60.650 - 1.910
R-factor	0.1656
Rwork	0.161
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tpw
RMSD bond length	0.021
RMSD bond angle	2.012
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.650	1.983
High resolution limit [Å]	1.910	1.914
Rmerge	0.058
Rpim	0.036
Number of reflections	25424	1853
<I/σ(I)>	18.94
Completeness [%]	96.6
Redundancy	3.411
CC(1/2)		0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	PEG 4000 10-20%, 100mM MES pH 6.5, 10% IPN