6I12
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.550, 87.410, 98.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.600 - 1.650 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i10 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.605 |
| Data reduction software | xia2 (0.3.8.0) |
| Data scaling software | xia2 (0.3.8.0) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.550 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 1.085 |
| Rmeas | 0.072 | 1.283 |
| Rpim | 0.028 | 0.508 |
| Total number of observations | 409438 | |
| Number of reflections | 63454 | |
| <I/σ(I)> | 15.8 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.3 |
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 |
