3O4B
Crystal structure of Symfoil-4T: de novo designed beta-trefoil architecture with symmetric primary structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.550, 53.520, 84.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.749 - 1.800 |
| R-factor | 0.181 |
| Rwork | 0.177 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.098 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.093 | 0.379 |
| Number of reflections | 10761 | |
| <I/σ(I)> | 67.1 | 10.1 |
| Completeness [%] | 98.7 | 98.2 |
| Redundancy | 9.7 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2M ammonium sulfate, 0.2M Li2SO4, 0.1M Tris, 15mg/mL protein concentration, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
