5UR1
FGFR1 kinase domain complex with SN37333 in reversible binding mode
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 | CCD |
Collection date | 2016-08-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 213.050, 51.783, 66.070 |
Unit cell angles | 90.00, 106.87, 90.00 |
Refinement procedure
Resolution | 19.540 - 2.200 |
R-factor | 0.2296 |
Rwork | 0.227 |
R-free | 0.27658 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wun |
RMSD bond length | 0.009 |
RMSD bond angle | 1.383 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.540 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.154 | |
Rpim | 0.041 | 0.349 |
Number of reflections | 35322 | 3248 |
<I/σ(I)> | 18.4 | 2.4 |
Completeness [%] | 99.8 | 100 |
Redundancy | 14.9 | 15 |
CC(1/2) | 0.999 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% MPEG 5000, 0.1 M sodium cacodylate pH 7.5, 0.2 M ammonium sulfate |