8BIN
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999990 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.803, 107.678, 40.661 |
Unit cell angles | 90.00, 108.94, 90.00 |
Refinement procedure
Resolution | 38.490 - 1.500 |
R-factor | 0.13353 |
Rwork | 0.132 |
R-free | 0.17095 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nki |
RMSD bond length | 0.009 |
RMSD bond angle | 1.473 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.490 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 35835 | 726 |
<I/σ(I)> | 14.8 | |
Completeness [%] | 84.2 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG3350, 10% ethylene glycol, 0.2M potassium thiocyanate |