6C3F
AMYLOID FORMING PEPTIDE IYKVEI FROM TRANSTHYRETIN
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 | 2014-02-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 9.600, 29.450, 16.030 |
Unit cell angles | 90.00, 95.66, 90.00 |
Refinement procedure
Resolution | 15.952 - 1.499 |
R-factor | 0.2109 |
Rwork | 0.205 |
R-free | 0.26240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.144 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1555) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.952 | 15.952 | 1.560 |
High resolution limit [Å] | 1.499 | 5.610 | 1.500 |
Rmerge | 0.154 | 0.078 | 0.517 |
Rmeas | 0.188 | 0.096 | 0.634 |
Number of reflections | 1413 | 25 | 145 |
<I/σ(I)> | 5.06 | 7.94 | 2.08 |
Completeness [%] | 96.3 | 78.1 | 96.7 |
Redundancy | 2.735 | 2.76 | 2.676 |
CC(1/2) | 0.989 | 0.998 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.5 M NaCl, 10 % v/v ethanol, 25% Glycerol |