6GQK
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.190, 91.650, 92.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.940 - 2.310 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 64.940 | 2.370 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.073 | 0.840 |
| Number of reflections | 33255 | 2421 |
| <I/σ(I)> | 13.9 | 1.7 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 4.7 | 4.9 |
| CC(1/2) | 0.998 | 0.663 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 10 % PEG 8000, 20 % ethylene glycol, 0.1 M Tris-BICINE pH 8.5, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide |
