5TYT
Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-14 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.07822 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.739, 66.633, 168.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.734 - 2.398 |
| R-factor | 0.2081 |
| Rwork | 0.206 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e6p |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.274 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.220 | 2.439 |
| High resolution limit [Å] | 2.398 | 2.398 |
| Rmerge | 0.094 | 0.738 |
| Number of reflections | 13997 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 25% PEG8000, 0.1 M sodium citrate, 0.2 M sodium acetate |
