5MWJ
Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.940, 57.000, 104.140 |
Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
Resolution | 43.140 - 2.040 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gxr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 57.000 |
High resolution limit [Å] | 2.040 |
Number of reflections | 41686 |
<I/σ(I)> | 5 |
Completeness [%] | 96.7 |
Redundancy | 3 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8 | 293.15 | PEG 8000 (22%), 100mM sodium cacodylate, 100 mM Ca(OAc)2 |