SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AD" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AD" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 695 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
ENGINEERED RESIDUE IN CHAIN A, LYS 164 TO ALA ENGINEERED RESIDUE IN CHAIN A, ARG 191 TO TYR
Sequence details
SEQUENCE IN DATABASE IS SEQUENCE 2 FROM PATENT US 6815192, WHICH IS FOR A XYLOGLUCANASE-BETA- ...SEQUENCE IN DATABASE IS SEQUENCE 2 FROM PATENT US 6815192, WHICH IS FOR A XYLOGLUCANASE-BETA-MANNANASE (CEL44C-MAN26A), AND THIS STRUCTURE IS FOR THE XYLOGLUCANASE PORTION. THE CONFLICTS WITH UNIPROT ENTRY Q1A2D0 LISTED BELOW WHICH ARE NOT DUE TO ENGINEERED MUTATIONS MAY REPRESENT NATURAL VARIATIONS BETWEEN DIFFERENT STRAINS. THE SEQUENCE FOR THIS STRUCTURE IS PUBLISHED IN PATENT US 6815192, AND GENBANK ENTRY AAW12876.1.
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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: 2.8 Å3/Da / Density % sol: 57 % / Description: NONE
Crystal grow
Details: 25% (W/V) PEG 3350, 0.2M LITHIUM SULPHATE, 0.1M BIS TRIS PH 6.5
Resolution: 1.79→158.11 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.944 / SU B: 1.595 / SU ML: 0.051 / Cross valid method: THROUGHOUT / ESU R: 0.094 / ESU R Free: 0.094 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. RESIDUES 1-6 AND 519-524 ARE DISORDERED. THERE IS UNMODELLED DENSITY NEAR TO GLY 396 AND TYR 286.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.177
3079
5.1 %
RANDOM
Rwork
0.144
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obs
0.146
57808
99.4 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK