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 |