5SUS
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36. X-ray diffractometer data set. (ORN)CVF(MEA)CED(ORN)AIIGL(ORN)V.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 133 |
Detector technology | CCD |
Collection date | 2015-09-14 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 57.085, 57.085, 93.682 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.400 - 2.349 |
R-factor | 0.2246 |
Rwork | 0.219 |
R-free | 0.27860 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.795 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.400 | 2.433 |
High resolution limit [Å] | 2.349 | 2.349 |
Rmerge | 0.009 | 0.041 |
Number of reflections | 4143 | |
<I/σ(I)> | 57.82 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.1 M Tris buffer at pH 7.7, 0.2 M MgCl2, 3.45 M 1,6-hexanediol |