regulation of activated T cell proliferation / regulation of T cell cytokine production / T cell apoptotic process / regulation of T cell anergy / cysteine-type endopeptidase activity involved in apoptotic process / carbohydrate binding / collagen-containing extracellular matrix / identical protein binding / cytosol Similarity search - Function
Group: Atomic model / Database references ...Atomic model / Database references / Derived calculations / Non-polymer description / Other / Version format compliance
Revision 2.0
May 29, 2019
Group: Atomic model / Data collection ...Atomic model / Data collection / Experimental preparation / Other Category: atom_site / diffrn_source ...atom_site / diffrn_source / exptl_crystal_grow / pdbx_database_proc / pdbx_database_status Item: _diffrn_source.pdbx_synchrotron_site / _exptl_crystal_grow.method / _pdbx_database_status.recvd_author_approval
BIOLOGICAL_UNIT: MONOMERA CRYSTAL PACKING DIMERIC ASSEMBLY CAN BE GENERATED USINGTHE SYMMETRY OPERATION -X, Y, 1/2 -Z. THIS CASE OF STRONGCRYSTAL PACKING HAS A DIFFERENCE IN ACCESSIBLE SURFACE AREAPER CHAIN BETWEEN THE ISOLATED CHAIN AND THAT FOR THE CHAININ THE COMPLEX OF 721.9 ANGSTROM**2
Mass: 18.015 Da / Num. of mol.: 80 / Source method: isolated from a natural source / Formula: H2O
Compound details
FUNCTION: MAY HAVE BOTH, LYSOPHOSPHOLIPASE AND CARBOHYDRATE- BINDING ACTIVITIES. CATALYTIC ACTIVITY: ...FUNCTION: MAY HAVE BOTH, LYSOPHOSPHOLIPASE AND CARBOHYDRATE- BINDING ACTIVITIES. CATALYTIC ACTIVITY: 2-LYSOPHOSPHATIDIYLCHOLINE + H(2)O = GLYCEROPHOSPHOCHOLINE + A FATTY ACID ANION. SUBCELLULAR LOCATION: LOCALIZED IN GRANULES FROM WHERE IT MAY BE SECRETED OR TRANSPORTED TO OTHER LOCATIONS IN THE CELL. TISSUE SPECIFICITY: EXPRESSED EXCLUSIVELY BY EOSINOPHILS AND BASOPHILS. NOT DETECTED IN MONOCYTES AND NEUTROPHILS. DISEASE: FORMS HEXAGONAL BIPYRAMIDAL CRYSTALS, KNOWN AS CHARCOT- LEYDEN CRYSTALS, IN TISSUES AND SECRETIONS FROM SITES OF EOSINOPHIL-ASSOCIATED INFLAMMATION AND SOME MYELOID LEUKEMIAS. SIMILARITY: BELONGS TO THE GALAPTIN (S-LECTIN) FAMILY.
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 2
-
Sample preparation
Crystal
Density Matthews: 2.81 Å3/Da / Density % sol: 55.87 %
Crystal grow
Method: vapor diffusion, hanging drop / pH: 7 Details: TRIS-ACETATE PH7.0 100MM HANGING DROP VAPOR DIFFUSION, pH 7.00
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.92 Å / Relative weight: 1
Reflection
Resolution: 1.8→20 Å / Num. obs: 16423 / % possible obs: 87.8 % / Observed criterion σ(I): 0 / Redundancy: 1.5 % / Biso Wilson estimate: 17.9 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 12.7
Reflection shell
Resolution: 1.8→1.87 Å / Redundancy: 1.4 % / Rmerge(I) obs: 0.127 / Mean I/σ(I) obs: 3.4 / % possible all: 72.4
Reflection
*PLUS
Lowest resolution: 99 Å / Num. obs: 16447 / % possible obs: 87.7 % / Num. measured all: 105494
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Processing
Software
Name
Version
Classification
X-PLOR
3.851
refinement
DENZO
datareduction
SCALEPACK
datascaling
PHASES
phasing
Refinement
Method to determine structure: MIR / Resolution: 1.8→20 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: BULK SOLVENT MODEL USED THE LAST TWO RESIDUES WERE NOT VISIBLE IN THE ELECTRON DENSITY MAPS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.221
797
4.9 %
RANDOM
Rwork
0.199
-
-
-
obs
0.199
16423
87.4 %
-
Displacement parameters
Biso mean: 21 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.25 Å
0.21 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.22 Å
0.21 Å
Refinement step
Cycle: LAST / Resolution: 1.8→20 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1131
0
22
80
1233
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
x_bond_d
0.008
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.5
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
29.5
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
0.67
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
1.33
1.5
X-RAY DIFFRACTION
x_mcangle_it
2.23
2
X-RAY DIFFRACTION
x_scbond_it
3.06
2
X-RAY DIFFRACTION
x_scangle_it
4.4
2.5
LS refinement shell
Resolution: 1.8→1.91 Å / Rfactor Rfree error: 0.03 / Total num. of bins used: 6
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