2PI3
The crystal structure of OspA mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.133, 55.617, 66.124 |
| Unit cell angles | 90.00, 98.97, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.17072 |
| Rwork | 0.169 |
| R-free | 0.20681 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g8c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.313 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.077 | 0.454 |
| Number of reflections | 51057 | |
| <I/σ(I)> | 13.82 | 3.59 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 28% PEG400, 0.1M Tris-HCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
