8ANN
Structure of the amyloid-forming peptide LFIEWL from exendin-4, grown from acetonitrile / water
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU PhotonJet-R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-13 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 9.547, 23.404, 44.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.670 - 1.240 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | crystal structure of LYIQWL |
RMSD bond length | 0.014 |
RMSD bond angle | 1.544 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.670 | 1.290 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmeas | 0.115 | 0.904 |
Number of reflections | 1514 | 94 |
<I/σ(I)> | 9.5 | 1.4 |
Completeness [%] | 96.5 | |
Redundancy | 8.26 | |
CC(1/2) | 1.000 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION, RECRYSTALLIZATION | 310 | Lyophilized peptide was dissolved in 0.15 - 0.5 mg/ml concentration in a solution containing 30% acetonitrile and 0.1 % TFA and incubated at 310K for several weeks. |