3JSL
Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2009-05-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.152, 49.193, 88.039 |
| Unit cell angles | 90.10, 103.20, 90.01 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.19843 |
| Rwork | 0.196 |
| R-free | 0.25028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.334 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.054 | 0.229 |
| Number of reflections | 57629 | |
| <I/σ(I)> | 15.9 | 2.2 |
| Completeness [%] | 95.5 | 85.2 |
| Redundancy | 2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 2.1-2.5M ammonium sulfate, 0.1M MES or HEPES, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
