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 |