5N40
Structure of Yersinia pseudotuberculosis adhesin InvE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.260, 27.030, 88.950 |
Unit cell angles | 90.00, 107.11, 90.00 |
Refinement procedure
Resolution | 46.465 - 1.700 |
R-factor | 0.1612 |
Rwork | 0.159 |
R-free | 0.19480 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.644 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (dev_2650) |
Refinement software | PHENIX (dev_2650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.465 | 46.465 | 1.800 |
High resolution limit [Å] | 1.700 | 10.000 | 1.700 |
Rmerge | 0.077 | 0.029 | 0.587 |
Rmeas | 0.084 | 0.032 | 0.635 |
Total number of observations | 235919 | ||
Number of reflections | 35804 | 212 | 5614 |
<I/σ(I)> | 16.31 | 47.58 | 3.22 |
Completeness [%] | 99.3 | 98.1 | 99.7 |
Redundancy | 6.589 | 5.854 | 6.832 |
CC(1/2) | 0.999 | 1.000 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.12 M MgCl2, 0.1 M TRIS pH 8.5, and 26% PEG8000 |