6FNG
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712
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 | 2015-06-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03320 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.697, 106.926, 40.665 |
Unit cell angles | 90.00, 109.19, 90.00 |
Refinement procedure
Resolution | 30.880 - 1.038 |
R-factor | 0.1728 |
Rwork | 0.175 |
R-free | 0.18690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i9u |
RMSD bond length | 0.006 |
RMSD bond angle | 0.926 |
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] | 38.410 | 1.100 |
High resolution limit [Å] | 1.038 | 1.038 |
Rmeas | 0.070 | |
Number of reflections | 122175 | 16628 |
<I/σ(I)> | 12.08 | 0.79 |
Completeness [%] | 96.5 | 81.2 |
Redundancy | 6.29 | 4.72 |
CC(1/2) | 0.999 | 0.352 |
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 Lysine, 0.1 M Buffer System 3 (MD) pH 8.5 |