4G2F
Human EphA3 kinase domain in complex with compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.068, 38.242, 75.841 |
| Unit cell angles | 90.00, 101.59, 90.00 |
Refinement procedure
| Resolution | 39.067 - 1.699 |
| R-factor | 0.1801 |
| Rwork | 0.179 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gsf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.083 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.290 | 1.790 |
| High resolution limit [Å] | 1.699 | 1.700 |
| Rmerge | 0.044 | 0.416 |
| Number of reflections | 33115 | |
| <I/σ(I)> | 24.5 | 4.3 |
| Completeness [%] | 99.6 | 97.8 |
| Redundancy | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium cacodylate pH 6.5, 0.15M ammonium sulfate, 22.5% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
