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 |