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 |