5K26
Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978720 |
| Spacegroup name | P 31 |
| Unit cell lengths | 64.000, 64.000, 35.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.430 - 1.200 |
| R-factor | 0.13865 |
| Rwork | 0.137 |
| R-free | 0.16826 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sem |
| RMSD bond length | 0.035 |
| RMSD bond angle | 3.006 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.430 | 1.270 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.042 | 0.418 |
| Number of reflections | 48242 | |
| <I/σ(I)> | 19.53 | 2.76 |
| Completeness [%] | 97.2 | 83.1 |
| Redundancy | 4.92 | 2.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M Na-Phosphate, 0.1 M K-Phosphate, 0.1 M MES 6.5, 1.5 M NaCl |
