5O99
Unconventional SH3 domain from the postsynaptic density scaffold protein Shank3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.740, 52.910, 31.660 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 29.740 - 0.871 |
| R-factor | 0.112 |
| Rwork | 0.097 |
| R-free | 0.11730 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.472 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | Auto-Rickshaw |
| Refinement software | PHENIX ((1.12rc1_2801: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.890 |
| High resolution limit [Å] | 0.870 | 0.870 |
| Rmerge | 0.037 | 0.395 |
| Number of reflections | 64681 | 698 |
| <I/σ(I)> | 20.9 | 2.1 |
| Completeness [%] | 81.0 | 11.8 |
| Redundancy | 3.5 | 2 |
| CC(1/2) | 0.998 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris (pH 6.5), 32.5% PEG3350 |
