8BOF
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12
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 | 2020-10-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.580, 106.430, 40.300 |
Unit cell angles | 90.00, 108.61, 90.00 |
Refinement procedure
Resolution | 31.030 - 1.820 |
R-factor | 0.1873 |
Rwork | 0.186 |
R-free | 0.21630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q7d |
RMSD bond length | 0.018 |
RMSD bond angle | 1.268 |
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] | 38.200 | 1.930 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmeas | 0.023 | 0.217 |
Number of reflections | 23212 | 3669 |
<I/σ(I)> | 8.35 | 1.03 |
Completeness [%] | 98.7 | 96.8 |
Redundancy | 6.78 | 6.77 |
CC(1/2) | 0.990 | 0.480 |
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), 0.275 M Amino acids Mix (0.2 M DL-Alanine,0.2M DL-Glutamic acid monohydrate, 0.2M DL-Lysine monohydrochloride, 0.2M DL-Serine, 0.2M Glycine) |