6FNH
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment 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 | 2016-09-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03318 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.500, 90.674, 200.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.953 - 1.379 |
R-factor | 0.2056 |
Rwork | 0.206 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i9u |
RMSD bond length | 0.008 |
RMSD bond angle | 0.958 |
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] | 49.210 | 1.460 |
High resolution limit [Å] | 1.379 | 1.379 |
Rmeas | 0.095 | |
Number of reflections | 212089 | 33386 |
<I/σ(I)> | 10.57 | 0.22 |
Completeness [%] | 99.6 | 98 |
Redundancy | 13.03 | 12.67 |
CC(1/2) | 0.999 | 0.109 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 37.5 % MPD/PEG1000/PEG3350 (MD), 0.075 M Carboxylic Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH 8.5 |