6GQO
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.104, 56.457, 60.714 |
Unit cell angles | 90.00, 110.45, 90.00 |
Refinement procedure
Resolution | 48.820 - 1.870 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wzd |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.460 | 1.970 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.048 | 0.545 |
Number of reflections | 27358 | 3860 |
<I/σ(I)> | 17.1 | |
Completeness [%] | 99.3 | 96.4 |
Redundancy | 6.4 | 5 |
CC(1/2) | 0.999 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 8 % PEG 8000, 0.1 M Tris pH 8.5 |