5VF1
X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic Beta-Sheet Containing ABeta16-22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2016-08-08 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 121.220, 121.220, 29.958 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.839 - 2.100 |
| R-factor | 0.2244 |
| Rwork | 0.219 |
| R-free | 0.27300 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.445 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.839 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.052 | 0.148 |
| Number of reflections | 14394 | 1511 |
| <I/σ(I)> | 36.78 | 6.54 |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 0.1 M bis-Tris at pH 5.5, 0.2 M ammonium acetate, and 45% v/v 2-methyl-2,4-pentanediol |
