Mass: 18.015 Da / Num. of mol.: 1167 / 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: 2.9 Å3/Da / Density % sol: 57 % / Description: NONE
Crystal grow
pH: 6 Details: BATCH CRYSTALLIZATION FROM 200 MM SODIUM CITRATE PH 6.0, 1 MM THDP, 1 MM MGCL2. PROTEIN CONCENTRATION WAS 4 MG/ML AND CRYSTALS APPEARED AFTER 4 DAYS.
Resolution: 1.69→84.06 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.353 / SU ML: 0.045 / Cross valid method: THROUGHOUT / ESU R: 0.071 / ESU R Free: 0.075 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16294
7314
5 %
RANDOM
Rwork
0.1319
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obs
0.13346
138948
99.4 %
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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: BABINET MODEL WITH MASK