7RTZ
X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 14-40
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 123 |
Detector technology | PIXEL |
Collection date | 2021-03-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 44.327, 44.327, 64.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.520 - 2.100 |
R-factor | 0.2661 |
Rwork | 0.263 |
R-free | 0.29340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wxm |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.520 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 7150 | 393 |
<I/σ(I)> | 21.83 | |
Completeness [%] | 99.8 | |
Redundancy | 48.6 | |
CC(1/2) | 0.998 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate pH 6.5, and 30% (v/v) 2-methyl-2,4-pentanediol |