3KCF
Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 174.025, 249.076, 138.011 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.860 - 2.800 |
R-factor | 0.237 |
Rwork | 0.235 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Structure of TGFbRI with different inhibitor |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX (2005) |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.097 | 0.521 |
Number of reflections | 73525 | |
<I/σ(I)> | 2.15 | |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 4.4 | 3.49 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |