6HEV
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061
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 | 32.809, 107.044, 40.614 |
Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
Resolution | 31.023 - 1.280 |
R-factor | 0.1872 |
Rwork | 0.186 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fnf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.079 |
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] | 38.400 | 1.360 |
High resolution limit [Å] | 1.280 | 1.280 |
Rmeas | 0.107 | |
Number of reflections | 65628 | 8923 |
<I/σ(I)> | 9.34 | 1.11 |
Completeness [%] | 96.4 | 81.3 |
Redundancy | 6.2 | 4.42 |
CC(1/2) | 0.997 | 0.201 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 37.5 % MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Tris pH 7.5 |