3AXA
Crystal structure of afadin PDZ domain in complex with the C-terminal peptide from nectin-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Detector technology | CCD |
| Collection date | 2010-06-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.477, 90.481, 88.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.290 - 2.780 |
| R-factor | 0.24133 |
| Rwork | 0.240 |
| R-free | 0.26336 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fe5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.055 | 0.210 |
| Number of reflections | 5357 | |
| <I/σ(I)> | 31.5 | 6.246 |
| Completeness [%] | 94.1 | |
| Redundancy | 5.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
