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 |