3EFJ
Structure of c-Met with pyrimidone inhibitor 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 130 |
Detector technology | IMAGE PLATE |
Collection date | 2004-04-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.741, 78.648, 129.257 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.24662 |
Rwork | 0.244 |
R-free | 0.28772 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r1w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.080 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.068 | 0.311 |
Number of reflections | 23678 | |
<I/σ(I)> | 13.2 | 2.6 |
Completeness [%] | 99.1 | 96.7 |
Redundancy | 3.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 298 | 12% PEG 6000, 1.0M LiCl2, 0.1M Sodium Citrate, pH 5.0, VAPOR DIFFUSION, temperature 298K |