6NVL
FGFR1 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 | 2017-12-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.331, 83.701, 102.604 |
Unit cell angles | 90.00, 113.60, 90.00 |
Refinement procedure
Resolution | 47.060 - 2.700 |
R-factor | 0.21514 |
Rwork | 0.213 |
R-free | 0.26289 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wun |
RMSD bond length | 0.003 |
RMSD bond angle | 1.241 |
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] | 47.060 | 2.810 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 40011 | 4482 |
<I/σ(I)> | 4.8 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6.3 |
CC(1/2) | 0.971 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 90 mM NPS salt mixture (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfatesulfate), 100 mM HEPES/MOPS pH 7.5, and 50% v/v of a precipitant mixture of 40% v/v PEG 500 MME and 20 % w/v PEG 20,000 |