6FNJ
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.708479 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.820, 87.690, 81.742 |
Unit cell angles | 90.00, 104.95, 90.00 |
Refinement procedure
Resolution | 45.336 - 1.239 |
R-factor | 0.2089 |
Rwork | 0.210 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vwu |
RMSD bond length | 0.009 |
RMSD bond angle | 0.983 |
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] | 45.340 | 1.310 |
High resolution limit [Å] | 1.239 | 1.239 |
Rmeas | 0.084 | |
Number of reflections | 210835 | 33525 |
<I/σ(I)> | 8.14 | 0.14 |
Completeness [%] | 99.6 | 98.2 |
Redundancy | 6.68 | 6.43 |
CC(1/2) | 0.999 | 0.114 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 10 % PEG5000 MME, 0.15 M MgCl2, 15 % Glycerol, 0.1 M TRIS pH 7.5 |