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1OIH

Crystal structure of the alkylsulfatase AtsK, a non-heme Fe(II) alphaketoglutarate dependent Dioxygenase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineBW7B
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths72.242, 145.344, 159.457
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.890
R-factor0.171
Rwork0.170
R-free0.19100
Structure solution methodSIRAS
RMSD bond length0.020
RMSD bond angle1.700
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSHELXD
Refinement softwareREFMAC (5.1.19)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.000
High resolution limit [Å]1.8901.900

*

Rmerge0.0480.357
Total number of observations719684

*

Number of reflections134420
<I/σ(I)>19.214.32
Completeness [%]99.699.6

*

Redundancy5.344.15
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

5.620

*

25 MM NA ACETATE, 25 MM NA CITRATE PH 5.6, 7% PEG 4000, 30% GLYCEROL
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropenzyme18 (mg/ml)
21dropTris-HCl20 (mM)pH7.5
31reservoirammonium acetate25 (mM)or 25-50mM ammonium sulfate
41reservoirsodium citrate25 (mM)pH5.6
51reservoirPEG40006-7 (%)
61reservoirglycerol30 (%)or MPD

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PDB entries from 2024-09-18

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