3I5N
Crystal structure of c-Met with triazolopyridazine inhibitor 13
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 | 2006-07-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.977, 43.241, 158.232 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.700 - 2.000 |
Rwork | 0.225 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cd8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.025 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.700 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.043 | 0.174 |
Number of reflections | 19840 | |
<I/σ(I)> | 29.2 | 7.1 |
Completeness [%] | 97.5 | 93.3 |
Redundancy | 3.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 298 | 15% PEG 4000, 0.1 M HEPES, 40 mM beta-mercaptoethanol, 6% isopropanol, 3% ethanol , pH 7.8, VAPOR DIFFUSION, temperature 298K |