6C1B
FGFR1 kinase complex with inhibitor SN37118
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-04 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 213.514, 52.193, 65.795 |
Unit cell angles | 90.00, 107.03, 90.00 |
Refinement procedure
Resolution | 19.450 - 2.000 |
R-factor | 0.22213 |
Rwork | 0.220 |
R-free | 0.25504 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wun |
RMSD bond length | 0.012 |
RMSD bond angle | 1.655 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.450 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.066 | |
Rpim | 0.027 | 0.453 |
Number of reflections | 46401 | 3302 |
<I/σ(I)> | 18.9 | 1.9 |
Completeness [%] | 98.6 | 96 |
Redundancy | 7.6 | 7.5 |
CC(1/2) | 1.000 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate |