8AAK
Crystal structure of the PDZ tandem of syntenin in complex with compound 29
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.660, 96.910, 103.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.450 - 2.554 |
R-factor | 0.2178 |
Rwork | 0.214 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w9e |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (11-DEC-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.450 | 2.646 |
High resolution limit [Å] | 2.554 | 2.554 |
Rmerge | 0.131 | 1.340 |
Rpim | 0.050 | 0.515 |
Number of reflections | 11941 | 1167 |
<I/σ(I)> | 9.71 | |
Completeness [%] | 99.8 | |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 100mM sodium acetate 200mM ammonium acetate 20% PEG3350 |