5SUU
X-ray crystallographic structure of a covalent trimer derived from A-beta 17-36. X-ray diffractometer data set. (ORN)CVFFCED(ORN)AII(SAR)L(ORN)V.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-13 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | H 3 2 |
Unit cell lengths | 50.236, 50.236, 64.802 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.118 - 2.032 |
R-factor | 0.2184 |
Rwork | 0.216 |
R-free | 0.23980 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.236 |
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] | 25.120 | 2.096 |
High resolution limit [Å] | 2.032 | 2.032 |
Rmerge | 0.060 | 0.131 |
Number of reflections | 2159 | |
<I/σ(I)> | 33.18 | 12.05 |
Completeness [%] | 98.0 | 90.87 |
Redundancy | 6.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M HEPES buffer at pH 6.5, 32% Jeffamine M-600 |