3BS1
Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with a Novel Mode of Binding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9204 |
| Spacegroup name | P 41 |
| Unit cell lengths | 47.938, 47.938, 100.112 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.300 - 1.600 |
| R-factor | 0.19659 |
| Rwork | 0.195 |
| R-free | 0.22066 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.381 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.300 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.155 | |
| Number of reflections | 29714 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 98.1 | 97.3 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 40% PEG 400, 0.1M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 400 | ||
| 2 | 1 | 1 | Bis-Tris | ||
| 3 | 1 | 2 | PEG 400 | ||
| 4 | 1 | 2 | Bis-Tris |
