8AF6

Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames)


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.220 
  • R-Value Work: 0.189 
  • R-Value Observed: 0.191 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.

Zielinski, K.A.Prester, A.Andaleeb, H.Bui, S.Yefanov, O.Catapano, L.Henkel, A.Wiedorn, M.O.Lorbeer, O.Crosas, E.Meyer, J.Mariani, V.Domaracky, M.White, T.A.Fleckenstein, H.Sarrou, I.Werner, N.Betzel, C.Rohde, H.Aepfelbacher, M.Chapman, H.N.Perbandt, M.Steiner, R.A.Oberthuer, D.

(2022) IUCrJ 9: 778-791

  • DOI: https://doi.org/10.1107/S2052252522010193
  • Primary Citation of Related Structures:  
    7QAR, 7ZPV, 7ZQ0, 8AF4, 8AF5, 8AF6, 8AF7, 8AF8

  • PubMed Abstract: 

    Serial crystallography at conventional synchrotron light sources (SSX) offers the possibility to routinely collect data at room temperature using micrometre-sized crystals of biological macromolecules. However, SSX data collection is not yet as routine and currently takes significantly longer than the standard rotation series cryo-crystallography. Thus, its use for high-throughput approaches, such as fragment-based drug screening, where the possibility to measure at physio-logical temperatures would be a great benefit, is impaired. On the way to high-throughput SSX using a conveyor belt based sample delivery system - the CFEL TapeDrive - with three different proteins of biological relevance ( Klebsiella pneumoniae CTX-M-14 β-lactamase, Nectria haematococca xylanase GH11 and Aspergillus flavus urate oxidase), it is shown here that complete datasets can be collected in less than a minute and only minimal amounts of sample are required.


  • Organizational Affiliation

    Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Endo-1,4-beta-xylanase189Fusarium haematococcumMutation(s): 0 
Gene Names: NECHADRAFT_106153
EC: 3.2.1.8
UniProt
Find proteins for C7YSL3 (Fusarium vanettenii (strain ATCC MYA-4622 / CBS 123669 / FGSC 9596 / NRRL 45880 / 77-13-4))
Explore C7YSL3 
Go to UniProtKB:  C7YSL3
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupC7YSL3
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.70 Å
  • R-Value Free: 0.220 
  • R-Value Work: 0.189 
  • R-Value Observed: 0.191 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 80.55α = 90
b = 38.85β = 91
c = 53.57γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
CrystFELdata reduction
CrystFELdata scaling
PHENIXphasing

Structure Validation

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Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Not funded--

Revision History  (Full details and data files)

  • Version 1.0: 2022-11-16
    Type: Initial release
  • Version 1.1: 2024-01-31
    Changes: Data collection, Refinement description
  • Version 1.2: 2024-04-03
    Changes: Database references