6I0Z
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.910, 71.620, 113.320 |
| Unit cell angles | 90.00, 130.90, 90.00 |
Refinement procedure
| Resolution | 36.720 - 1.770 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p53 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.613 |
| Data reduction software | xia2 (0.3.4.0) |
| Data scaling software | xia2 (0.3.4.0) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.720 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.045 | 0.535 |
| Rmeas | 0.065 | 0.709 |
| Rpim | 0.034 | 0.365 |
| Number of reflections | 93872 | |
| <I/σ(I)> | 16 | 2.3 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 16-20% PEG 3350, 200 mM LiAc, 4% glycerol |
