6I14
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9
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 | 2015-04-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.590, 87.420, 98.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.540 - 1.730 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.21630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i10 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.629 |
| 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] | 51.540 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.099 | 1.559 |
| Rmeas | 0.118 | 1.836 |
| Rpim | 0.047 | 0.703 |
| Total number of observations | 350409 | |
| Number of reflections | 55080 | |
| <I/σ(I)> | 10 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.4 | 6.7 |
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 |
