3B2N
Crystal structure of DNA-binding response regulator, LuxR family, from Staphylococcus aureus
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 | 2007-10-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97900 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.898, 67.898, 110.662 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.040 |
R-factor | 0.168 |
Rwork | 0.165 |
R-free | 0.21500 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.661 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.110 |
High resolution limit [Å] | 2.040 | 4.390 | 2.040 |
Rmerge | 0.083 | 0.046 | 0.436 |
Number of reflections | 15739 | ||
<I/σ(I)> | 10.2 | ||
Completeness [%] | 86.5 | 99.5 | 22.9 |
Redundancy | 6.4 | 8.2 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M Hepes pH 7.5, 1.4 M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |