6P69
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 11.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2013-11-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 205.365, 58.516, 66.131 |
Unit cell angles | 90.00, 107.31, 90.00 |
Refinement procedure
Resolution | 34.110 - 2.200 |
R-factor | 0.18882 |
Rwork | 0.186 |
R-free | 0.24498 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rhx |
RMSD bond length | 0.016 |
RMSD bond angle | 1.854 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.091 | 0.439 |
Number of reflections | 36364 | 1263 |
<I/σ(I)> | 12.2 | 1.9 |
Completeness [%] | 99.9 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1:1 mix of protein + reservoir Protein at ~15 mg/mL formulated in: 20mM Tris pH 8, 20mM NaCl, 2mM TCEP Reservoir: 14-18% PEG 10K 0.3 M (NH4)2SO4 0.1 M MES pH 6.5 5% ethylene glycol |