8CQO
Crystal structure of Borrelia burgdorferi paralogous family 12 outer surface protein BBK01 (Se-Met data)
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) | 0.97965 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.440, 52.720, 94.991 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 47.490 - 3.300 |
| R-factor | 0.1723 |
| Rwork | 0.168 |
| R-free | 0.25370 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.443 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.490 | 3.560 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.097 | 0.262 |
| Number of reflections | 7221 | 1431 |
| <I/σ(I)> | 11.3 | 6.3 |
| Completeness [%] | 95.8 | 94.1 |
| Redundancy | 5.9 | 5.5 |
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 |
