8BOI
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.750, 107.450, 40.530 |
| Unit cell angles | 90.00, 108.61, 90.00 |
Refinement procedure
| Resolution | 38.410 - 1.630 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q7d |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.830 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.410 | 1.730 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmeas | 0.014 | 0.134 |
| Number of reflections | 32353 | 5132 |
| <I/σ(I)> | 7.8 | 1.03 |
| Completeness [%] | 97.6 | 95.6 |
| Redundancy | 3.45 | 3.2 |
| CC(1/2) | 0.990 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 37,5 % Precipitant Mix 4 (25% (v/v) Hexylene glycol, 25% (w/v) Poly(ethylene glycol) 1000, 25% (w/v) Poly(ethylene glycol) 3350), 0.1M Buffer system 3 pH 8.5 (1M BICINE, 1M Trizma base), 0.15 M Carboxylic acids Mix (0.2M Ammonium acetate, 0.2M Potassium sodium tartrate tetrahydrate, 0.2M Sodium citrate tribasic dihydrate, 0.2M Sodium formate, 0.2M Sodium oxamate) |
