1Q44 | pdb_00001q44

Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 
    0.222 (Depositor), 0.230 (DCC) 
  • R-Value Work: 
    0.191 (Depositor), 0.200 (DCC) 
  • R-Value Observed: 
    0.193 (Depositor) 

Starting Model: experimental
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This is version 1.6 of the entry. See complete history. 

Re-refinement Note

A newer entry is available that reflects an alternative modeling of the original data: 2Q3M


Literature

Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana

Smith, D.W., Johnson, K.A., Bingman, C.A., Aceti, D.J., Blommel, P.G., Wrobel, R.L., Frederick, R.O., Zhao, Q., Sreenath, H., Fox, B.G., Volkman, B.F., Jeon, W.B., Newman, C.S., Ulrich, E.L., Hegeman, A.D., Kimball, T., Thao, S., Sussman, M.R., Markley, J.L., Phillips Jr., G.N.

(2004) Proteins 57: 854-857


Macromolecules
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(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Steroid Sulfotransferase326Arabidopsis thalianaMutation(s): 0 
Gene Names: At2g03760
EC: 2.8.2
UniProt
Find proteins for P52839 (Arabidopsis thaliana)
Explore P52839 
Go to UniProtKB:  P52839
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP52839
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
MLA
Query on MLA
Download Ideal Coordinates CCD File 
B [auth A]MALONIC ACID
C3 H4 O4
OFOBLEOULBTSOW-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free:  0.222 (Depositor), 0.230 (DCC) 
  • R-Value Work:  0.191 (Depositor), 0.200 (DCC) 
  • R-Value Observed: 0.193 (Depositor) 
Space Group: C 2 2 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 91.477α = 90
b = 120.899β = 90
c = 74.315γ = 90
Software Package:
Software NamePurpose
MAR345data collection
SCALEPACKdata scaling
SOLVEphasing
RESOLVEmodel building
REFMACrefinement
RESOLVEphasing

Structure Validation

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View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2003-11-25
    Type: Initial release
  • Version 1.1: 2008-02-01
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Derived calculations, Version format compliance
  • Version 1.3: 2015-04-29
    Changes: Non-polymer description
  • Version 1.4: 2017-10-11
    Changes: Refinement description
  • Version 1.5: 2024-02-14
    Changes: Data collection, Database references, Derived calculations
  • Version 1.6: 2024-04-03
    Changes: Refinement description