6Q7D
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13
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 | 32.725, 107.160, 40.463 |
Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
Resolution | 36.142 - 0.978 |
R-factor | 0.1861 |
Rwork | 0.185 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fnf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.167 |
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] | 36.142 | 1.040 |
High resolution limit [Å] | 0.978 | 0.978 |
Rmeas | 0.109 | |
Number of reflections | 141511 | 19879 |
<I/σ(I)> | 7.56 | 0.24 |
Completeness [%] | 93.2 | 81 |
Redundancy | 6.69 | |
CC(1/2) | 0.999 | 0.101 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 30 % PEG 3350, 100 mM Morpheus Amino Acids Mix, 100 mM Morpheus Buffer System 3 (Tris/Bicine) |