4AXH
Structure and mechanism of the first inverting alkylsulfatase specific for secondary alkylsulfatases
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 141.980, 141.980, 119.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.590 - 2.700 |
| R-factor | 0.2231 |
| Rwork | 0.221 |
| R-free | 0.26590 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.930 | 8.540 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.080 | 0.660 |
| Number of reflections | 36072 | |
| <I/σ(I)> | 18.8 | 3.1 |
| Completeness [%] | 93.3 | 100 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
