Mass: 18.015 Da / Num. of mol.: 99 / Source method: isolated from a natural source / Formula: H2O
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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: 4.69 Å3/Da / Density % sol: 73.78 % / Description: NONE
Crystal grow
Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6 Details: CRYSTALS WERE OBTAINED USING THE HANGING-DROP VAPOR DIFFUSION TECHNIQUE AT 21C; DROPLETS CONTAINING 8 MG/ML PROTEIN IN 0.05 M TRIS-HCL, 0.3 M NACL, 0.097 M IMIDAZOLE AND 20% OF GLYCEROL WERE ...Details: CRYSTALS WERE OBTAINED USING THE HANGING-DROP VAPOR DIFFUSION TECHNIQUE AT 21C; DROPLETS CONTAINING 8 MG/ML PROTEIN IN 0.05 M TRIS-HCL, 0.3 M NACL, 0.097 M IMIDAZOLE AND 20% OF GLYCEROL WERE EQUILIBRATED OVER WELLS CONTAINING 1 M NA MALONATE (PH 6.0).
Resolution: 1.95→47.56 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.946 / SU B: 2.64 / SU ML: 0.074 / Cross valid method: THROUGHOUT / ESU R: 0.104 / ESU R Free: 0.106 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22264
1025
5.1 %
RANDOM
Rwork
0.19216
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obs
0.19369
19116
99.7 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK