6NVG
FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)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 | 2017-09-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.731, 63.731, 182.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.180 - 1.990 |
R-factor | 0.20588 |
Rwork | 0.204 |
R-free | 0.23295 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xcu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.352 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.180 | 2.040 |
High resolution limit [Å] | 1.990 | 1.990 |
Rpim | 0.019 | 0.433 |
Number of reflections | 26662 | 1784 |
<I/σ(I)> | 18.5 | 1.3 |
Completeness [%] | 99.4 | 92.9 |
Redundancy | 26.1 | 25 |
CC(1/2) | 1.000 | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 100mM Bis-tris pH4.5, 200mM Lithium sulphate, 16% PEG 3350 |