6XVA
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97858 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.135, 90.045, 90.745 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.068 - 2.300 |
R-factor | 0.198 |
Rwork | 0.196 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.370 | 44.068 | 2.480 |
High resolution limit [Å] | 2.297 | 7.324 | 2.297 |
Rmerge | 0.130 | 0.043 | 1.101 |
Rmeas | 0.145 | 0.048 | 1.200 |
Rpim | 0.063 | 0.021 | 0.471 |
Total number of observations | 5009 | 7039 | |
Number of reflections | 22158 | 1106 | 1109 |
<I/σ(I)> | 9.8 | 27.2 | 1.6 |
Completeness [%] | 93.7 | 98.8 | 82.7 |
Redundancy | 5.1 | 4.5 | 6.3 |
CC(1/2) | 0.997 | 0.998 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 10 % PEG4000, 20 % glycerol, 10 % MORPHEUS carboxylic acids, 0.1 M HEPES-MOPS buffer pH 7.5 |