6NVJ
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide
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 | PIXEL |
Collection date | 2017-10-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.040, 63.040, 181.953 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.570 - 2.300 |
R-factor | 0.22487 |
Rwork | 0.222 |
R-free | 0.27123 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xcu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.623 |
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] | 59.570 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.051 | 0.700 |
Number of reflections | 17211 | 1619 |
<I/σ(I)> | 11.9 | 0.9 |
Completeness [%] | 99.8 | 98 |
Redundancy | 28 | 27.4 |
CC(1/2) | 0.998 | 0.498 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 100mM Bis-tris pH 4.5, 200mM Lithium sulphate, 16% PEG 3350 |