3P6I
Crystal structure of Symfoil-4T Permutation #2: de novo designed beta-trefoil architecture with symmetric primary structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.07500 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.901, 53.258, 84.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.797 - 1.320 |
| R-factor | 0.148 |
| Rwork | 0.146 |
| R-free | 0.17810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.966 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.340 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.057 | 0.368 |
| Number of reflections | 25102 | |
| <I/σ(I)> | 106.5 | 3.4 |
| Completeness [%] | 91.8 | 95.7 |
| Redundancy | 35.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.2M ammonium sulfate, 0.2M Li2SO4, 0.1M Tris, 17mg/mL protein concentration, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
