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 |