Mass: 18.015 Da / Num. of mol.: 80 / Source method: isolated from a natural source / Formula: H2O
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Details
Nonpolymer details
1,3-BISPHOSPHOGLYCERATE (X15): 1,3-BISPHOSPHOGLYCERATE WAS FORMED IN CRYSTALLO BY SOAKING CRYSTALS ...1,3-BISPHOSPHOGLYCERATE (X15): 1,3-BISPHOSPHOGLYCERATE WAS FORMED IN CRYSTALLO BY SOAKING CRYSTALS CONTAINING ADP AND 3PG IN ATP
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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
Resolution: 2.1→20 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.921 / SU B: 10.756 / SU ML: 0.137 / Cross valid method: THROUGHOUT / ESU R: 0.246 / ESU R Free: 0.196 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 1,3-BISPHOSPHOGLYCERATE WAS FORMED IN THE CRYSTALS BY SOAKING ATP INTO CRYSTALS OF THE ADP 3PG COMPLEX.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23795
1184
5.2 %
RANDOM
Rwork
0.19249
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obs
0.19488
21765
98.59 %
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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