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 |
