5NKD
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.753, 107.477, 40.576 |
| Unit cell angles | 90.00, 109.02, 90.00 |
Refinement procedure
| Resolution | 36.129 - 1.408 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i9u |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS (XDSapp 2.0) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.129 | 1.490 |
| High resolution limit [Å] | 1.408 | 1.408 |
| Rmeas | 0.103 | 0.369 |
| Number of reflections | 48350 | |
| <I/σ(I)> | 11.11 | 5.87 |
| Completeness [%] | 94.4 | 87.6 |
| Redundancy | 5.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 37.5% MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Hepes pH6.5 |
