6GQL
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
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 | 2016-04-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.900, 91.670, 92.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.200 - 2.010 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| 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] | 92.270 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.081 | 0.948 |
| Number of reflections | 50823 | 3717 |
| <I/σ(I)> | 9.7 | 1.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.1 | 5 |
| CC(1/2) | 0.998 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 9 % PEG 3350, 18 % glycerol, 0.1 M PCTP pH 6.2, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide |
