1RJL
Structure of the complex between OspB-CT and bactericidal Fab-H6831
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 288 |
Detector technology | CCD |
Detector | BRANDEIS |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 186.286, 37.271, 87.939 |
Unit cell angles | 90.00, 90.66, 90.00 |
Refinement procedure
Resolution | 30.090 - 2.600 |
Rwork | 0.191 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Fab portion of PDB ENTRY 1OSP |
RMSD bond length | 0.006 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.090 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.078 | 0.157 |
Number of reflections | 17715 | |
<I/σ(I)> | 14.6 | 4.8 |
Completeness [%] | 94.3 | 87.6 |
Redundancy | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | PEG3350, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |