5K28
Structure of the unbound SH3 domain of MLK3
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 | 2015-06-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.892, 57.892, 76.122 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.140 - 1.500 |
| R-factor | 0.18754 |
| Rwork | 0.186 |
| R-free | 0.21328 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k26 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.134 |
| 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] | 50.140 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.084 | 0.393 |
| Number of reflections | 23517 | |
| <I/σ(I)> | 10.79 | 2.82 |
| Completeness [%] | 96.2 | 94.9 |
| Redundancy | 4.84 | 4.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 1.4M NaMalonate pH 6.4 |
