7C7I
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97891 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.502, 55.619, 189.884 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 2.280 |
R-factor | 0.1752 |
Rwork | 0.172 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g4x 4dxa |
RMSD bond length | 0.007 |
RMSD bond angle | 0.970 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.280 | 2.300 |
Rmerge | 0.153 | 0.835 |
Number of reflections | 23777 | 1181 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 98.4 | |
Redundancy | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 14.4% (w/v) PEG 8000, Sodium cacodylate/Hydrochloric acid (pH 6.5), 160 mM Calcium acetate, 20% (v/v) Glycerol |