6FZZ
Crystal structure of BSE31 (BSPA14S_RS05060 gene product) from Lyme disease agent Borrelia (Borreliella) spielmanii
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 | 2017-09-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 64.140, 64.140, 97.371 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.550 - 2.050 |
| R-factor | 0.1888 |
| Rwork | 0.186 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fxe |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.838 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.550 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.050 | 0.300 |
| Number of reflections | 15078 | 1279 |
| <I/σ(I)> | 23.8 | 7.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | 0.2 M Sodium citrate 0.1 M Tris pH 8.5 30% PEG 400 |
