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 |
