4AT4
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-31 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.080, 95.360, 46.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.550 - 2.360 |
| R-factor | 0.1828 |
| Rwork | 0.179 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4asz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.940 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.360 | 2.490 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.120 | 0.520 |
| Number of reflections | 16549 | |
| <I/σ(I)> | 16.4 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 277 | THE TRKB-EX429 COMPLEX WAS OBTAINED BY COCRYSTALLIZATION IN 2.1 M NA-FORMATE, 50 MM HEPES, PH 8.0 AT 4 DEGREES C IN PRESENCE OF 1 MM OF INHIBITOR. |
