1OIK
Crystal structure of the alkylsulfatase AtsK, a non-heme Fe(II) alphaketoglutarate dependent Dioxygenase in complex with fe, alphaketoglutarate and 2-ethyl-1-hexanesulfuric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 72.027, 141.892, 161.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.050 * |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oih |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.680 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.150 |
| High resolution limit [Å] | 2.050 * | 2.060 |
| Rmerge | 0.057 | 0.321 |
| Total number of observations | 270566 * | |
| Number of reflections | 51154 | |
| <I/σ(I)> | 4.34 | 4.34 |
| Completeness [%] | 99.1 | 97 |
| Redundancy | 5.24 | 3.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 * | 20 * | pH 5.50 |
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 |
