SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Mass: 18.015 Da / Num. of mol.: 460 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN B, GLU 138 TO ASP ...ENGINEERED RESIDUE IN CHAIN A, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN B, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN C, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN D, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN E, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN F, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN G, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN H, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN I, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN J, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN K, GLU 138 TO ASP ENGINEERED RESIDUE IN CHAIN L, GLU 138 TO ASP
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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: 2.1 Å3/Da / Density % sol: 41 % / Description: NONE
Crystal grow
pH: 7.5 / Details: 27.5 %PEG 400, 50 MM MGSO4, 0.1 M HEPES, PH 7.5
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Data collection
Diffraction
Mean temperature: 100 K
Diffraction source
Source: SYNCHROTRON / Site: MAX II / Beamline: I911-3 / Wavelength: 1
Resolution: 2.2→20 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.918 / SU B: 6.073 / SU ML: 0.156 / Cross valid method: THROUGHOUT / ESU R: 0.373 / ESU R Free: 0.23 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.239
5341
5 %
RANDOM
Rwork
0.203
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obs
0.205
101282
96.7 %
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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