9F21
Crystal structure of Borrelia burgdorferi CspZ-YACS
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 | 2023-03-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.551, 41.677, 162.812 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.740 - 1.950 |
| R-factor | 0.2318 |
| Rwork | 0.230 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.571 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.680 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.095 | 0.693 |
| Number of reflections | 16483 | 1144 |
| <I/σ(I)> | 18.1 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.5 | 13.3 |
| CC(1/2) | 0.998 | 0.971 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 2.2 M ammonium sulfate 0.1 M HEPES 7.5 2% PEG 400 |
