6RJW
Crystal structure of the N-terminal domain of Lyme disease agent Borrelia burgdorferi major virulence factor BB0323 (Se-Met data)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97972 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.392, 48.829, 87.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.900 - 2.850 |
| R-factor | 0.2079 |
| Rwork | 0.205 |
| R-free | 0.26760 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.554 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.900 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.087 | 0.219 |
| Number of reflections | 4510 | 636 |
| <I/σ(I)> | 24 | 15.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.2 M KNO3 18% PEG 3350 |
