3P6J
Crystal structure of Symfoil-4T Permutation #3: 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 | P 21 21 21 |
| Unit cell lengths | 46.860, 57.698, 61.412 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.375 - 1.350 |
| R-factor | 0.1473 |
| Rwork | 0.146 |
| R-free | 0.16610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.109 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.036 | 0.372 |
| Number of reflections | 33256 | |
| <I/σ(I)> | 61.7 | 6.3 |
| Completeness [%] | 91.9 | 94.1 |
| Redundancy | 12 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.0M sodium citrate, 0.1M sodium cacodylate, 10mg/mL protein concentration, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
