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 |