6I17
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.444, 87.107, 97.972 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.180 - 1.560 |
R-factor | 0.2078 |
Rwork | 0.206 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i10 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.727 |
Data reduction software | xia2 (0.4.0.291) |
Data scaling software | xia2 (0.4.0.291) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.970 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.069 | 1.281 |
Rmeas | 0.076 | 1.413 |
Rpim | 0.031 | 0.590 |
Number of reflections | 74348 | |
<I/σ(I)> | 12.5 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 18-22% PEG 8000, 100-130 mM MgAc2, 100 mM citric acid pH 5.0 |