1OIH
Crystal structure of the alkylsulfatase AtsK, a non-heme Fe(II) alphaketoglutarate dependent Dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.242, 145.344, 159.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.890 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.19100 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.900 * |
| Rmerge | 0.048 | 0.357 |
| Total number of observations | 719684 * | |
| Number of reflections | 134420 | |
| <I/σ(I)> | 19.21 | 4.32 |
| Completeness [%] | 99.6 | 99.6 * |
| Redundancy | 5.34 | 4.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | 20 * | 25 MM NA ACETATE, 25 MM NA CITRATE PH 5.6, 7% PEG 4000, 30% GLYCEROL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 18 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | reservoir | ammonium acetate | 25 (mM) | or 25-50mM ammonium sulfate |
| 4 | 1 | reservoir | sodium citrate | 25 (mM) | pH5.6 |
| 5 | 1 | reservoir | PEG4000 | 6-7 (%) | |
| 6 | 1 | reservoir | glycerol | 30 (%) | or MPD |
