2CFU
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-decane-sulfonic-acid.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-20 |
Detector | MARRESEARCH |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 86.057, 86.057, 364.413 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 74.540 - 1.900 |
R-factor | 0.174 |
Rwork | 0.171 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cg3 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.482 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.120 | 0.520 |
Number of reflections | 68233 | |
<I/σ(I)> | 12 | 3.1 |
Completeness [%] | 98.0 | 98 |
Redundancy | 6.8 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 12% PEG 4000,10 % ISO-PROPANOL, 200 MM LICL,100 MM CITRATE PH6, pH 6.00 |