1SN9
An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 38.939, 56.172, 32.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 1.200 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.28540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | refined structure of Gln18SeMet selenomethionine derivative of BBAT |
| RMSD bond length | 0.032 |
| RMSD bond angle | 0.039 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.034 | 0.229 |
| Number of reflections | 21067 | |
| <I/σ(I)> | 26.8 | 3.7 |
| Completeness [%] | 92.5 | 54.7 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% t-butanol, 0.1M TRIS buffer, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
