3ZXZ
X-ray Structure of PF-04217903 bound to the kinase domain of c-Met
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 87 |
Detector technology | CCD |
Collection date | 2006-10-06 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.740, 94.125, 46.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.430 - 1.800 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wgj |
RMSD bond length | 0.004 |
RMSD bond angle | 0.800 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | CNS (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.250 |
Number of reflections | 27447 | |
<I/σ(I)> | 11.1 | 3.27 |
Completeness [%] | 85.3 | 37.2 |
Redundancy | 4.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 286 | CRYSTALS WERE OBTAINED AT 13 DEGREES C BY THE HANGING DROP VAPOR DIFFUSION METHOD USING 1.2 MICROLITERS OF PROTEIN SOLUTION (CONTAINING 7-13 MG/ML C-MET KD PLUS A 5 FOLD MOLAR EXCESS OF PF-04217903) AND 1.2 MICROLITERS OF MOTHER LIQUOR SOLUTION (0.05 M CITRATE-PHOSHPHATE 4.6, 0-0.275 M NACL, AND 21% W/V PEG 3350). |