5W4I
X-ray crystallographic structure of a beta-hairpin peptide mimic derived from Abeta 16-36. Rigaku data set. (ORN)KLV(MEA)FAE(ORN)AIIGLMV.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 133 |
| Detector technology | CCD |
| Collection date | 2016-06-18 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 67.746, 67.746, 67.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.557 - 2.026 |
| R-factor | 0.2128 |
| Rwork | 0.209 |
| R-free | 0.24660 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.560 | 2.098 |
| High resolution limit [Å] | 2.026 | 2.026 |
| Rmerge | 0.034 | 0.268 |
| Number of reflections | 3808 | 365 |
| <I/σ(I)> | 24.3 | 2.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 36.8 | 17.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296.15 | 0.1 M HEPES sodium buffer (pH 7.5), 0.2 M sodium citrate, 22% isopropanol |
