6NVH
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)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 | 64.127, 64.127, 181.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.520 - 1.900 |
| R-factor | 0.21326 |
| Rwork | 0.212 |
| R-free | 0.23364 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xcu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.290 |
| 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] | 45.520 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.023 | 0.580 |
| Number of reflections | 30981 | 1946 |
| <I/σ(I)> | 16.8 | 1.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 13.1 | 11.5 |
| CC(1/2) | 0.998 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100mM Bis-tris pH 4.5, 200mM lithium sulphate, 12% PEG3350 |
