2A7M
1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.8265 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.600, 55.551, 80.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.640 - 1.600 |
R-factor | 0.17171 |
Rwork | 0.170 |
R-free | 0.21068 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.305 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.686 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.055 | 0.870 |
Number of reflections | 32757 | |
<I/σ(I)> | 36.8 | 2.4 |
Completeness [%] | 99.7 | 80.49 |
Redundancy | 7.1 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | glycerol, tris-hcl, peg4000, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | glycerol, tris-hcl, peg4000, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |