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 |
