SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 10-STRANDED BARREL THIS IS REPRESENTED BY A 11-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 120 / Source method: isolated from a natural source / Formula: H2O
Nonpolymer details
SULFATE ION (SO4): FROM CRYSTALLIZATION CONDITIONS N-OCTANE (OCT): ORIGINATES FROM DETERGENT USED ...SULFATE ION (SO4): FROM CRYSTALLIZATION CONDITIONS N-OCTANE (OCT): ORIGINATES FROM DETERGENT USED IN CRYSTALLIZATION. DENSITY FOR HEADGROUP NOT OBSERVED.
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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: 2.16 Å3/Da / Density % sol: 43 % / Description: NONE
Crystal grow
Temperature: 293 K / Method: lipidic cubic phase Details: 18%(V/V) PEG400, 0.1 M POTASSIUM SULFATE, 0.05 M HEPES, PH 7.0
Resolution: 1.95→10 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.899 / SU B: 8.889 / SU ML: 0.135 / Cross valid method: THROUGHOUT / ESU R: 0.201 / ESU R Free: 0.181 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.272
927
5.2 %
RANDOM
Rwork
0.224
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obs
0.227
17043
98.2 %
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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