6Q7B
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09
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 | 2018-10-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.800, 106.807, 40.402 |
Unit cell angles | 90.00, 108.74, 90.00 |
Refinement procedure
Resolution | 31.102 - 1.009 |
R-factor | 0.1871 |
Rwork | 0.187 |
R-free | 0.20250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fnf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.014 |
Data reduction software | XDS (XDSapp 2.0) |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3318: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.102 | 1.070 |
High resolution limit [Å] | 1.009 | 1.009 |
Rmeas | 0.138 | |
Number of reflections | 124435 | 18978 |
<I/σ(I)> | 7.16 | 0.26 |
Completeness [%] | 89.9 | 85 |
Redundancy | 7.07 | 6.74 |
CC(1/2) | 0.999 | 0.100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 37.5 % MPD_PEG1000_PEG3350 (Precipitant Mix 4 Morpheus), 100 mM Morpheus Amino Acids Mix, 100 mM Bis-Tris |