8DGO
Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 43 |
| Unit cell lengths | 89.310, 89.310, 94.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.880 - 2.300 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.22430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gri |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS (20161205) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.410 | 47.410 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.084 | 0.058 | 1.678 |
| Rmeas | 0.091 | 0.063 | 1.824 |
| Rpim | 0.035 | 0.024 | 0.707 |
| Total number of observations | 226651 | 3929 | 19417 |
| Number of reflections | 32908 | 593 | 3052 |
| <I/σ(I)> | 11.8 | 32 | 1.2 |
| Completeness [%] | 99.4 | 98.6 | 94.5 |
| Redundancy | 6.9 | 6.6 | 6.4 |
| CC(1/2) | 0.998 | 0.996 | 0.424 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.7 M sodium acetate pH 8.0, 10 % (v/v) glycerol, with 1 mM PEAK3 (pY24) peptide |
