6U06
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-06-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11685 |
Spacegroup name | P 1 |
Unit cell lengths | 38.110, 38.290, 146.820 |
Unit cell angles | 87.96, 94.87, 101.64 |
Refinement procedure
Resolution | 73.132 - 1.960 |
R-factor | 0.1994 |
Rwork | 0.197 |
R-free | 0.23940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dt6 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (phenix-1.13-2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 146.210 | 1.860 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.106 | |
Number of reflections | 55811 | 5583 |
<I/σ(I)> | 11.51 | |
Completeness [%] | 95.9 | |
Redundancy | 2.8 | |
CC(1/2) | 0.988 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.2 | 298 | HEPES, MPD, PEG 6K, NDSB-256 |