5KMO
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)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 | 2012-10-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 51.810, 51.810, 229.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.870 - 2.670 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.24290 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| 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] | 44.866 | 44.866 | 2.820 |
| High resolution limit [Å] | 2.672 | 8.450 | 2.670 |
| Rmerge | 0.088 | 0.463 | |
| Rmeas | 0.166 | 0.098 | 0.513 |
| Rpim | 0.053 | 0.033 | 0.160 |
| Total number of observations | 101199 | 3146 | 15298 |
| Number of reflections | 10453 | ||
| <I/σ(I)> | 12.7 | 21.3 | 5.2 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 9.7 | 8.4 | 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 |
