2G8C
Atomic-resolution crystal structure of Borrelia burgdorferi OspA via surface entropy reduction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.224, 54.628, 66.459 |
| Unit cell angles | 90.00, 100.36, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.150 |
| R-factor | 0.15498 |
| Rwork | 0.154 |
| R-free | 0.17996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1osp O chain |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.784 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.071 | 0.328 |
| Number of reflections | 82636 | |
| <I/σ(I)> | 17.76 | 3.04 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 2.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293 | 30% PEG400, 0.1M imidazole, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
