7TB1
Crystal structure of STUB1 with a macrocyclic peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.011, 77.602, 46.354 |
| Unit cell angles | 90.00, 92.42, 90.00 |
Refinement procedure
| Resolution | 46.310 - 1.785 |
| R-factor | 0.2267 |
| Rwork | 0.224 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6efk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.830 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (10-DEC-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.310 | 1.816 |
| High resolution limit [Å] | 1.785 | 1.785 |
| Number of reflections | 23936 | 1193 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.995 | 0.878 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 3 M NaCl, 0.1 M TRIS pH 8.5 |
