6FG4
Crystal Structure of the Amyloid-like IIKVIK Segment from the S. aureus Biofilm-associated PSMalpha1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8729 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 45.270, 4.800, 22.900 |
Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
Resolution | 18.380 - 1.100 |
R-factor | 0.1629 |
Rwork | 0.159 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Ideal poly-ala beta-strand |
RMSD bond length | 0.010 |
RMSD bond angle | 1.973 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.380 | 18.380 | 1.130 |
High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
Rmerge | 0.133 | 0.070 | 0.752 |
Rmeas | 0.140 | 0.075 | 0.824 |
Number of reflections | 2070 | 30 | 136 |
<I/σ(I)> | 10.13 | 25.76 | 2.14 |
Completeness [%] | 93.9 | 93.8 | 80 |
Redundancy | 11.161 | 8.5 | 6.441 |
CC(1/2) | 0.998 | 1.000 | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Reservoir contained 15% Polyethylene glycol 8,000: 0.5M Lithium sulfate |