2FAR
Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with dATP and Manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.736, 203.787, 44.143 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.540 - 1.900 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fao |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.540 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.045 | 0.071 |
| Number of reflections | 98203 | |
| <I/σ(I)> | 29.9 | 18.3 |
| Completeness [%] | 99.6 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 100 mM sodium cacodylate, 0.2 M sodium acetate, 5 mM DTT, 26-32% polyethylene glycol-8000, 10 mM Manganous Chloride, 5 mM dATP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
