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 |