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 |