› 4qx1

X-ray diffraction
2.8Å resolution

Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite

Released:
DOI: 10.2210/pdb4qx1/pdb
PDB entry 4qx1 coloured by chain, front view.
PDB entry 4qx1 coloured by chain, side view.
PDB entry 4qx1 coloured by chain, top view.
Source organism: Bacillus thuringiensis serovar tenebrionis
Primary publication:
Protein crystal structure obtained at 2.9 Å resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Sawaya MR, Cascio D, Gingery M, Rodriguez J, Goldschmidt L, Colletier JP, Messerschmidt MM, Boutet S, Koglin JE, Williams GJ, Brewster AS, Nass K, Hattne J, Botha S, Doak RB, Shoeman RL, DePonte DP, Park HW, Federici BA, Sauter NK, Schlichting I, Eisenberg DS
Proc Natl Acad Sci U S A 111 12769-74 (2014)
PMID: 25136092

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141165 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pesticidal crystal protein Cry3Aa Chain: A
Molecule details ›
Chain: A
Length: 587 amino acids
Theoretical weight: 66.6 KDa
Source organism: Bacillus thuringiensis serovar tenebrionis
Expression system: Bacillus thuringiensis serovar israelensis
UniProt:
  • Canonical: P0A379 (Residues: 58-644; Coverage: 91%)
Gene names: bt13, cry3A, cry3Aa, cryC, cryIIIA(a), cryIIIa
Sequence domains:
Structure domains:

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLAC LCLS BEAMLINE CXI
Spacegroup: C2221
Unit cell:
a: 117.1Å b: 135.4Å c: 105.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.178 0.197
Expression system: Bacillus thuringiensis serovar israelensis

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Citations

14 review citations

Dynamically achieved active site precision in enzyme catalysis.
Klinman JP. (2015)
13 more

4 mentions without citation

Insecticidal Activity of Bacillus thuringiensis Proteins Against Coleopteran Pests.
Domínguez-Arrizabalaga et al. (2020)
3 more