6I18
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.660, 87.810, 98.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.350 - 1.490 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i10 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.733 |
| Data reduction software | xia2 (0.4.0.0) |
| Data scaling software | xia2 (0.4.0.0) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.350 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.045 | 1.014 |
| Rmeas | 0.054 | 1.195 |
| Rpim | 0.021 | 0.464 |
| Total number of observations | 543840 | |
| Number of reflections | 84863 | |
| <I/σ(I)> | 18 | 1.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.4 | 6.5 |
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 |
