- PDB-2xsp: Structure of Cellobiohydrolase 1 (Cel7A) from Heterobasidion annosum -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 2xsp
Title
Structure of Cellobiohydrolase 1 (Cel7A) from Heterobasidion annosum
Components
CELLULOSE 1,4-BETA-CELLOBIOSIDASE
Keywords
HYDROLASE / GLYCOSIDE HYDROLASE
Function / homology
Function and homology information
Hydrolases; Glycosylases; Glycosidases, i.e. enzymes that hydrolyse O- and S-glycosyl compounds / cellulose catabolic process / hydrolase activity, hydrolyzing O-glycosyl compounds / metal ion binding Similarity search - Function
1,4-Beta-D-Glucan Cellobiohydrolase I; Chain A / Glycoside hydrolase, family 7, domain / Glycoside hydrolase, family 7 / Glycoside hydrolase family 7, catalytic domain superfamily / Glycosyl hydrolase family 7 / Distorted Sandwich / Concanavalin A-like lectin/glucanase domain superfamily / Mainly Beta Similarity search - Domain/homology
Mass: 18.015 Da / Num. of mol.: 469 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.19 Å3/Da / Density % sol: 43.94 % / Description: NONE
Crystal grow
pH: 7.7 Details: PROTEIN WAS CRYSTALLIZED FROM 20 MM MGCL2, 0.1 M HEPES PH 7.7, 20% POLYETHYLENE GLYCOL 3350, THEN SOAKED IN1 MM THIO-XYLOPENTAOSIDE LIGAND SOLUTION.
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I911-5 / Wavelength: 0.91
Resolution: 1.7→28.97 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.954 / SU B: 1.573 / SU ML: 0.053 / Cross valid method: THROUGHOUT / ESU R: 0.098 / ESU R Free: 0.093 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17729
2289
5 %
RANDOM
Rwork
0.14992
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obs
0.1513
43235
97.01 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK