9CDS
Crystal structure of OspA ST1 from B. burgdorferi bound to monoclonal antibody LA-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-26 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 61 |
| Unit cell lengths | 68.555, 68.555, 619.736 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.100 - 1.850 |
| Rwork | 0.202 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.282 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.860 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.125 | 2.821 |
| Rmeas | 0.129 | 2.889 |
| Rpim | 0.029 | 0.661 |
| Number of reflections | 139556 | 6793 |
| <I/σ(I)> | 17 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.4 | 18.8 |
| CC(1/2) | 0.999 | 0.304 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 15 mg/mL, 0.1 M Magnesium Acetate tetrahydrate and 10% (w/v) PEG 3350; cryo 25%(v/v) Glycerol |
