Mass: 63.546 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cu
Has ligand of interest
Y
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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: 5.8 Å3/Da / Density % sol: 78.8 %
Crystal grow
Temperature: 288 K / Method: vapor diffusion, sitting drop / pH: 9 Details: Crystallized in plastic sitting drop trays, 30 nl of protein (concentration 10 mg/mL) combined with 30 nl precipitant: 0.0425 M BICINE pH 9.0 0.0425 M Sodium chloride 8.5% v/v Polyethylene ...Details: Crystallized in plastic sitting drop trays, 30 nl of protein (concentration 10 mg/mL) combined with 30 nl precipitant: 0.0425 M BICINE pH 9.0 0.0425 M Sodium chloride 8.5% v/v Polyethylene glycol monomethyl ether 550 7.5% v/v Glycerol Solution was equilibrated against a reservoir of 60% PEG 3350.
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Resolution: 3.8→30 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.931 / SU B: 51.885 / SU ML: 0.6 / Cross valid method: THROUGHOUT / ESU R Free: 0.596 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27404
215
2 %
RANDOM
Rwork
0.2577
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obs
0.25802
10435
92.35 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å