5KMI
TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 52.065, 52.065, 227.191 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.090 - 1.870 |
| R-factor | 0.2099 |
| Rwork | 0.208 |
| R-free | 0.24660 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | BUSTER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.090 | 45.438 | 1.970 |
| High resolution limit [Å] | 1.868 | 5.910 | 1.870 |
| Rmerge | 0.032 | 0.504 | |
| Rmeas | 0.057 | ||
| Rpim | 0.018 | ||
| Total number of observations | 295983 | ||
| Number of reflections | 29938 | ||
| <I/σ(I)> | 24.5 | 14.8 | 1.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 9.9 | 8.7 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 50mM MES pH 6.5, 150 mM NaCl, 5mM TCEP, 0.1% beta-OctylGlucoside |
