5NKH
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.443, 106.313, 39.325 |
| Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
| Resolution | 32.336 - 1.290 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i9u |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.526 |
| 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] | 32.336 | 1.370 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmeas | 0.065 | 0.694 |
| Number of reflections | 64198 | 6192 |
| <I/σ(I)> | 11.54 | 1.82 |
| Completeness [%] | 96.3 | 93.7 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 37.5% MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH8.5 |
