5G4X
The crystal structure of the SHANK3 N-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-16 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.760, 86.760, 158.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.538 - 2.166 |
| R-factor | 0.1638 |
| Rwork | 0.163 |
| R-free | 0.18570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n11 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.988 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.540 | 2.300 |
| High resolution limit [Å] | 2.160 | 2.170 |
| Rmerge | 0.110 | 0.600 |
| Number of reflections | 32995 | |
| <I/σ(I)> | 14.7 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.2 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M HEPES PH 7.5, 0.4M K/NA TARTRATE |
