6ITV
Crystal structure of activated c-KIT in complex with compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-18 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 59.853, 59.853, 197.984 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.767 - 1.881 |
R-factor | 0.1832 |
Rwork | 0.180 |
R-free | 0.23060 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.828 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (dev_2621) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.950 |
High resolution limit [Å] | 1.880 | 4.050 | 1.880 |
Rmerge | 0.055 | 0.025 | 0.654 |
Rmeas | 0.062 | 0.027 | 0.729 |
Rpim | 0.027 | 0.012 | 0.318 |
Total number of observations | 154364 | ||
Number of reflections | 30279 | 3230 | 2935 |
<I/σ(I)> | 13.7 | ||
Completeness [%] | 99.7 | 97 | 100 |
Redundancy | 5.1 | 4.8 | 5.2 |
CC(1/2) | 0.999 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 15% PEG 3350, 0.1M sodium citrate tribasic dihydrate, pH 5.6, 3% ethylene glycol, 3% 1,6-hexanediol |