2P2H
Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 66.595, 136.915, 58.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.990 - 1.950 |
Rwork | 0.205 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.220 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR (2.4) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.041 | 0.329 |
Number of reflections | 37501 | |
<I/σ(I)> | 14.9 | 3 |
Completeness [%] | 93.8 | 76.4 |
Redundancy | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |