6WXM
X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 16-36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 113.15 |
| Detector technology | CCD |
| Collection date | 2015-06-02 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.194, 122.127, 58.327 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.280 - 2.300 |
| R-factor | 0.176 |
| Rwork | 0.171 |
| R-free | 0.21850 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.522 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.280 | 2.382 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.079 | 0.441 |
| Rmeas | 0.112 | 0.623 |
| Rpim | 0.079 | 0.441 |
| Number of reflections | 27084 | 2540 |
| <I/σ(I)> | 15.9 | 1.42 |
| Completeness [%] | 98.5 | 87.34 |
| Redundancy | 16.1 | 4.1 |
| CC(1/2) | 0.988 | 0.357 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 296.15 | 0.1 M sodium acetate (pH 5.0), 0.1 M CoCl2, 1.1 M 1,6-hexanediol |
