2FKJ
The crystal structure of engineered OspA
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 | 2005-06-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.150, 105.500, 88.981 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.24866 |
| Rwork | 0.247 |
| R-free | 0.28162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.102 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.061 | 0.147 |
| Number of reflections | 24305 | |
| <I/σ(I)> | 24.17 | 10.19 |
| Completeness [%] | 98.9 | 100 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | 22% PEG1000, 0.1M Acetate, 0.2M litium sulfate, 3% MPD, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
