6B0T
Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 102.577, 59.255, 293.651 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 45.440 - 2.800 |
| R-factor | 0.267 |
| Rwork | 0.265 |
| R-free | 0.30280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3llp |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.603 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.440 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.440 |
| Number of reflections | 87042 | 8516 |
| <I/σ(I)> | 13.59 | |
| Completeness [%] | 98.6 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 24% PEG 4000, 50mM Tris HCL (pH 8), 3.3% glycerol, 142mM NaCl, 5mM MgCl2, 10mM CaCl2 and 0.004% NaN3 |
