6SD9
Crystal structure of wild-type cMET bound by foretinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.976280 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.880, 73.730, 91.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.700 - 2.350 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lq8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.700 | 28.700 | 2.490 |
High resolution limit [Å] | 2.350 | 6.860 | 2.350 |
Rmerge | 0.103 | 0.043 | 0.436 |
Rmeas | 0.113 | 0.048 | 0.486 |
Number of reflections | 12096 | 555 | 1672 |
<I/σ(I)> | 13.2 | 31.32 | 3.43 |
Completeness [%] | 97.5 | 98.2 | 85.7 |
Redundancy | 6.058 | 5.38 | 4.79 |
CC(1/2) | 0.997 | 0.998 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 15 % 2-propanol, 17 % PEG4K, 0.1 M NaHEPES pH 8 |