3ED4
Crystal structure of putative arylsulfatase from escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-07-25 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.932, 178.858, 76.284 |
| Unit cell angles | 90.00, 92.17, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.19767 |
| Rwork | 0.196 |
| R-free | 0.24220 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.229 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.063 | 0.925 |
| Number of reflections | 212025 | |
| <I/σ(I)> | 5.4 | 0.3 |
| Completeness [%] | 90.6 | 89.1 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 294 | 100MM HEPES PH 7.5, 25% PEG3350, 10% GLYCEROL, VAPOR DIFFUSION, TEMPERATURE 294K, pH 7.50 |
