3FTR
Structure of an amyloid forming peptide SSTNVG from IAPP (alternate polymorph)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 16.590, 4.789, 40.229 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.110 - 1.610 |
R-factor | 0.226 |
Rwork | 0.223 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.913 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.000 | 90.000 | 1.720 |
High resolution limit [Å] | 1.600 | 2.740 | 1.600 |
Rmerge | 0.149 | 0.090 | 0.499 |
Number of reflections | 503 | ||
<I/σ(I)> | 6.462 | ||
Completeness [%] | 92.6 | 98.5 | 85.7 |
Redundancy | 4.5 | 5.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | reservoir contained 20% w/v PEG-3000, 0.1M HEPES, 0.2M NaCl, pH 7.5, vapor diffusion, hanging drop, temperature 298K |