2QJ2
A Mechanistic Basis for Converting a Receptor Tyrosine Kinase Agonist to an Antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.401, 51.805, 73.167 |
| Unit cell angles | 90.00, 107.87, 90.00 |
Refinement procedure
| Resolution | 22.290 - 1.810 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nk1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.300 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.370 |
| Number of reflections | 28061 | |
| <I/σ(I)> | 12.9 | 1.3 |
| Completeness [%] | 86.8 | 31.3 |
| Redundancy | 3.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 50 mM ammonium sulfate, 26-29% PEG 4000 (w/w), 100 mM Tris-HCl pH 8.0, 0.5 mM beta-octyl glucoside, and 5% ethylene glycol , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
