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PDBsum entry 4n6v
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Hydrolase inhibitor
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PDB id
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4n6v
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PDB id:
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| Name: |
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Hydrolase inhibitor
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Title:
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Partial rotational order disorder structure of human stefin b
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Structure:
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Cystatin-b. Chain: 2, 1, 9, 8, 7, 6, 4, 3, 0, 5. Fragment: unp residues 8-98. Synonym: stefin-b, cpi-b, liver thiol proteinase inhibitor. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: cstb. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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1.80Å
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R-factor:
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0.192
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R-free:
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0.234
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Authors:
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M.Renko,A.Taler-Vercic,M.Mihelic,E.Zerovnik,D.Turk
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Key ref:
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M.Renko
et al.
(2014).
Partial rotational lattice order-disorder in stefin B crystals.
Acta Crystallogr D Biol Crystallogr,
70,
1015-1025.
PubMed id:
DOI:
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Date:
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14-Oct-13
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Release date:
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09-Apr-14
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PROCHECK
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Headers
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References
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P04080
(CYTB_HUMAN) -
Cystatin-B from Homo sapiens
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Seq:
Struc:
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98 a.a.
91 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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DOI no:
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Acta Crystallogr D Biol Crystallogr
70:1015-1025
(2014)
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PubMed id:
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Partial rotational lattice order-disorder in stefin B crystals.
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M.Renko,
A.Taler-Verčič,
M.Mihelič,
E.Zerovnik,
D.Turk.
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ABSTRACT
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At present, the determination of crystal structures from data that have been
acquired from twinned crystals is routine; however, with the increasing number
of crystal structures additional crystal lattice disorders are being discovered.
Here, a previously undescribed partial rotational order-disorder that has been
observed in crystals of stefin B is described. The diffraction images revealed
normal diffraction patterns that result from a regular crystal lattice. The data
could be processed in space groups I4 and I422, yet one crystal exhibited a
notable rejection rate in the higher symmetry space group. An explanation for
this behaviour was found once the crystal structures had been solved and refined
and the electron-density maps had been inspected. The lattice of stefin B
crystals is composed of five tetramer layers: four well ordered layers which are
followed by an additional layer of alternatively placed tetramers. The presence
of alternative positions was revealed by the inspection of electron-density
score maps. The well ordered layers correspond to the crystal symmetry of space
group I422. In addition, the positions of the molecules in the additional layer
are related by twofold rotational axes which correspond to space group I422;
however, these molecules lie on the twofold axis and can only be related in a
statistical manner. When the occupancies of alternate positions and overlapping
are equal, the crystal lattice indeed fulfills the criteria of space group I422;
when these occupancies are not equal, the lattice only fulfills the criteria of
space group I4.
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