6FXE
BBE31 from Lyme disease agent Borrelia (Borreliella) burgdorferi playing a vital role in successful colonization of the mammalian host
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.390, 75.270, 87.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.190 - 2.400 |
R-factor | 0.2094 |
Rwork | 0.207 |
R-free | 0.25870 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.774 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.170 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.080 | 0.360 |
Number of reflections | 19149 | 2777 |
<I/σ(I)> | 17.9 | 6.2 |
Completeness [%] | 96.6 | 98.1 |
Redundancy | 12.2 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 0.2M Ammonium sulfate 0.1M Sodium acetate 26% PEG 2000 |