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 |