6NVI
FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.740, 63.740, 182.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.610 - 2.117 |
R-factor | 0.24359 |
Rwork | 0.242 |
R-free | 0.28053 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xcu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.295 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.610 | 2.160 |
High resolution limit [Å] | 2.117 | 2.117 |
Rpim | 0.028 | 0.983 |
Number of reflections | 22291 | 1768 |
<I/σ(I)> | 13.2 | 0.9 |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 25.2 | 20 |
CC(1/2) | 0.999 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 100mM bis-tris pH 4.5, 200mM lithium sulfate, 16% PEG 3350 |