5SUT
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36. Synchrotron data set. (ORN)CVFFCED(ORN)AII(SAR)L(ORN)V.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-25 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.83, 1.17 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 49.590, 49.590, 64.185 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.690 - 1.902 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5suu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.370 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.690 | 1.969 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.023 | 0.069 |
| Number of reflections | 2514 | |
| <I/σ(I)> | 46.71 | |
| Completeness [%] | 99.3 | 99.22 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M HEPES buffer at pH 7.3, 34% Jeffamine M-600 |
