6I11
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3
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 | 2015-02-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.620, 87.320, 97.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.550 - 1.670 |
| R-factor | 0.2173 |
| Rwork | 0.216 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i10 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.603 |
| 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] | 51.550 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.061 | 1.161 |
| Rmeas | 0.074 | 1.389 |
| Rpim | 0.030 | 0.547 |
| Number of reflections | 60096 | |
| <I/σ(I)> | 14.2 | 1.4 |
| Completeness [%] | 98.4 | 100 |
| Redundancy | 6.2 | 6.4 |
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 |
