Mass: 18.015 Da / Num. of mol.: 99 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 108 TO SER ...ENGINEERED RESIDUE IN CHAIN A, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 108 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 108 TO SER ENGINEERED RESIDUE IN CHAIN C, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN C, CYS 108 TO SER ENGINEERED RESIDUE IN CHAIN D, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN D, CYS 108 TO SER ENGINEERED RESIDUE IN CHAIN E, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN E, CYS 108 TO SER ENGINEERED RESIDUE IN CHAIN F, CYS 81 TO SER ENGINEERED RESIDUE IN CHAIN F, CYS 108 TO SER
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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: 2.2 Å3/Da / Density % sol: 45 % / Description: NONE
Crystal grow
pH: 6.5 / Details: 0.1 M MES PH 6.5, 20% PEG2000MME
Resolution: 2.4→90.57 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.933 / SU B: 20.138 / SU ML: 0.222 / Cross valid method: THROUGHOUT / ESU R: 0.44 / ESU R Free: 0.277 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26612
1824
5 %
RANDOM
Rwork
0.22024
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obs
0.22262
34623
99.87 %
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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