6MZQ
TAS-120 in reversible binding mode with FGFR1
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 | 2018-01-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 208.800, 49.157, 64.684 |
Unit cell angles | 90.00, 106.10, 90.00 |
Refinement procedure
Resolution | 47.330 - 2.000 |
R-factor | 0.19606 |
Rwork | 0.194 |
R-free | 0.22984 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ur1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.414 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 41723 | 2849 |
<I/σ(I)> | 12.7 | 2.2 |
Completeness [%] | 97.8 | 90.4 |
Redundancy | 7 | 6.9 |
CC(1/2) | 0.999 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | MPEG 5000, sodium cacodylate, ammonium sulfate |