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 |
