5T3Q
Crystal structure of the c-Met kinase domain in complex with a pyrazolone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-12-09 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.627, 82.272, 127.139 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.1982 |
Rwork | 0.196 |
R-free | 0.24820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | proprietary cMet structure |
RMSD bond length | 0.008 |
RMSD bond angle | 1.255 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.050 | 0.036 | 0.308 |
Number of reflections | 23885 | ||
<I/σ(I)> | 25.4 | ||
Completeness [%] | 92.6 | 98 | 61.5 |
Redundancy | 2.9 | 3.3 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 12% PEG 6000, 1.0 M lithium chloride, 0.1 M sodium citrate (pH 5.0) |