6HEY
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATNK002
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03318 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.804, 107.120, 40.516 |
Unit cell angles | 90.00, 108.72, 90.00 |
Refinement procedure
Resolution | 38.373 - 1.367 |
R-factor | 0.1811 |
Rwork | 0.180 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fnf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.999 |
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] | 38.373 | 1.450 |
High resolution limit [Å] | 1.367 | 1.367 |
Rmeas | 0.173 | |
Number of reflections | 54051 | 7233 |
<I/σ(I)> | 6.97 | 0.53 |
Completeness [%] | 96.3 | 79.9 |
Redundancy | 6.34 | 4.6 |
CC(1/2) | 0.996 | 0.175 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 37.5 % MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Hepes pH 7.0 |