4XMO
Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.951, 43.395, 157.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.750 |
R-factor | 0.1891 |
Rwork | 0.186 |
R-free | 0.23830 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.142 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK (1.98.5) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.033 | 0.024 | 0.230 |
Total number of observations | 101372 | ||
Number of reflections | 25661 | ||
<I/σ(I)> | 32.1 | ||
Completeness [%] | 85.3 | 98.1 | 36.2 |
Redundancy | 4 | 4.4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 12% PEG 4000, 100 mM HEPES, pH 7.8, 6% isopropanol, 3% ethanol, 40 mM beta-mercaptoethanol |