5I55
Crystal Structure of the Virulent PSM-alpha3 Peptide Forming a Cross-alpha amyloid-like Fibril
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792,0.9794,0.9796 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.460, 10.510, 29.710 |
Unit cell angles | 90.00, 111.98, 90.00 |
Refinement procedure
Resolution | 16.550 - 1.450 |
R-factor | 0.1466 |
Rwork | 0.143 |
R-free | 0.18370 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.017 |
RMSD bond angle | 1.996 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Arcimboldo |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 16.550 | 1.490 | |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.124 | 0.062 | 0.458 |
Rmeas | 0.130 | 0.065 | 0.482 |
Total number of observations | 59309 | ||
Number of reflections | 3126 | 64 | 411 |
<I/σ(I)> | 10.01 | 22.94 | 3.78 |
Completeness [%] | 96.2 | 95.5 | 87.6 |
Redundancy | 18.97 | 19.3 | |
CC(1/2) | 0.998 | 1.000 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | reservoir contained 0.2 M ammonium acetate, 0.1M BisTris pH 5.5, 45% MPD |