5NK5
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m
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 | 32.528, 106.483, 39.390 |
Unit cell angles | 90.00, 95.25, 90.00 |
Refinement procedure
Resolution | 32.391 - 1.329 |
R-factor | 0.1809 |
Rwork | 0.180 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i9u |
RMSD bond length | 0.009 |
RMSD bond angle | 1.157 |
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] | 32.401 | 1.411 |
High resolution limit [Å] | 1.329 | 1.329 |
Rmeas | 0.067 | 1.270 |
Number of reflections | 59439 | 9417 |
<I/σ(I)> | 11.36 | 1.07 |
Completeness [%] | 97.2 | 95.1 |
Redundancy | 3.51 | 3.52 |
CC(1/2) | 0.999 | 0.414 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 37.5% MPD/PEG1000/PEG3350 (MD), 0.2 M Amino Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH8.5 |