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 |