5V63
Crystal structure of macrocycles containing Abeta 16-22 (KLV(PHI)FAE) and Abeta 30-36 (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 | 2014-05-10 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | F 2 3 |
Unit cell lengths | 55.010, 55.010, 55.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.449 - 2.091 |
R-factor | 0.2762 |
Rwork | 0.257 |
R-free | 0.26940 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.766 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.449 | 2.166 |
High resolution limit [Å] | 2.091 | 2.091 |
Rmerge | 0.027 | 0.077 |
Number of reflections | 1623 | |
<I/σ(I)> | 28.66 | 10.28 |
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 HEPES, pH 7.0 0.2 M MgCl2 28% isopropanol |