2QJ4
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 | 2005-03-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 63 |
| Unit cell lengths | 86.490, 86.490, 104.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.200 - 2.500 |
| R-factor | 0.177 |
| Rwork | 0.173 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nk1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| 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] | 43.200 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.079 | 0.200 |
| Number of reflections | 13513 | |
| <I/σ(I)> | 23.2 | 2.2 |
| Completeness [%] | 75.6 | 12.6 |
| Redundancy | 8.7 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 50 mM ammonium sulfate, 26-32% PEG 1000, 50 mM Tris-HCl pH 8.0, and 5% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
