8CQN
Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBK01
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 | 2022-12-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.072, 52.133, 95.018 |
| Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
| Resolution | 46.140 - 2.700 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.24370 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.674 |
| 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] | 46.140 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.053 | 0.242 |
| Number of reflections | 13352 | 1771 |
| <I/σ(I)> | 12.3 | 4 |
| Completeness [%] | 98.6 | 98.7 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 294 | 0.1M Bicine pH 9.0 6% PEG 20 000 |
