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- PDB-3chj: Crystal Structure of Alpha-14 Giardin -

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Basic information

Entry
Database: PDB / ID: 3chj
TitleCrystal Structure of Alpha-14 Giardin
ComponentsAlpha-14 giardin
KeywordsMETAL BINDING PROTEIN / Calcium-binding / Annexin
Function / homology
Function and homology information


cell projection organization / calcium-dependent phospholipid binding / motile cilium / calcium ion binding
Similarity search - Function
Annexin E1, fourth repeat / Annexin / Annexin / Annexin repeats / Annexin repeat / Annexin superfamily / Annexin repeat profile.
Similarity search - Domain/homology
Alpha-14 giardin / Annexin E1
Similarity search - Component
Biological speciesGiardia lamblia (eukaryote)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.6 Å
AuthorsPathuri, P. / Luecke, H.
CitationJournal: J.Mol.Biol. / Year: 2009
Title: Apo and calcium-bound crystal structures of cytoskeletal protein alpha-14 giardin (annexin E1) from the intestinal protozoan parasite Giardia lamblia
Authors: Pathuri, P. / Nguyen, E.T. / Ozorowski, G. / Svard, S.G. / Luecke, H.
History
DepositionMar 10, 2008Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 6, 2009Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Alpha-14 giardin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)38,6772
Polymers38,6371
Non-polymers401
Water4,594255
1


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)64.012, 65.305, 75.848
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein Alpha-14 giardin


Mass: 38637.184 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Giardia lamblia (eukaryote) / Gene: Alpha-14 / Production host: Escherichia coli (E. coli) / References: UniProt: Q4VPP4, UniProt: Q9NFS4*PLUS
#2: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 255 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.05 Å3/Da / Density % sol: 40.05 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 4.6
Details: 100 mM sodium acetate pH 4.6 and 15% (w/v) PEG 20000, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.979
DetectorType: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Apr 23, 2007
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 1.6→50 Å / Num. all: 42635 / Num. obs: 42635 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0

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Processing

Software
NameVersionClassificationNB
REFMAC5.2.0005refinement
PDB_EXTRACT3.004data extraction
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementResolution: 1.6→50 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.94 / SU B: 1.644 / SU ML: 0.06 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.099 / ESU R Free: 0.097 / Stereochemistry target values: MAXIMUM LIKELIHOOD
RfactorNum. reflection% reflectionSelection details
Rfree0.228 2147 5 %RANDOM
Rwork0.198 ---
obs0.199 42574 99.89 %-
all-42635 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 20.102 Å2
Baniso -1Baniso -2Baniso -3
1-0.06 Å20 Å20 Å2
2---0.1 Å20 Å2
3---0.04 Å2
Refinement stepCycle: LAST / Resolution: 1.6→50 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2494 0 1 255 2750
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.010.0222542
X-RAY DIFFRACTIONr_angle_refined_deg1.1821.9653428
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.9675310
X-RAY DIFFRACTIONr_dihedral_angle_2_deg28.26923.554121
X-RAY DIFFRACTIONr_dihedral_angle_3_deg11.20915463
X-RAY DIFFRACTIONr_dihedral_angle_4_deg18.111520
X-RAY DIFFRACTIONr_chiral_restr0.0810.2378
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.021909
X-RAY DIFFRACTIONr_nbd_refined0.2030.21236
X-RAY DIFFRACTIONr_nbtor_refined0.3070.21787
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1420.2198
X-RAY DIFFRACTIONr_metal_ion_refined0.0860.24
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.1360.242
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.1260.218
X-RAY DIFFRACTIONr_mcbond_it0.9061.51586
X-RAY DIFFRACTIONr_mcangle_it1.47522479
X-RAY DIFFRACTIONr_scbond_it2.34131084
X-RAY DIFFRACTIONr_scangle_it3.6344.5949
LS refinement shellResolution: 1.6→1.642 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.28 187 -
Rwork0.231 2901 -
all-3088 -
obs--99.2 %

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