EDO: 1,2-ETHANEDIOL



Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7B8O_EDO_A_510Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7B8O_EDO_A_510Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7B8O_EDO_A_510Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Other instances in this entry
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Best-fitted PDB instances with same target (top 5)
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Best-fitted PDB instances with different target (top 5)
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
7B8O_EDO_A_510 40% 84% 0.161 0.8690.46 0.3 - -00100%1
7B8O_EDO_A_511 33% 89% 0.195 0.8720.55 0.11 - -00100%1
7B8O_EDO_A_512 21% 81% 0.179 0.7860.42 0.41 - -00100%1
7B8O_EDO_A_509 9% 78% 0.236 0.7210.37 0.51 - -10100%1
7B8A_EDO_A_512 79% 73% 0.092 0.9370.35 0.69 - -00100%1
6YV4_EDO_A_504 73% 71% 0.098 0.9230.39 0.72 - -00100%1
6TUZ_EDO_A_517 72% 76% 0.132 0.9570.42 0.52 - -00100%1
6TR7_EDO_A_511 71% 77% 0.087 0.9080.46 0.47 - -00100%1
8BTH_EDO_A_506 56% 85% 0.081 0.8490.45 0.3 - -30100%1
6ANS_EDO_A_404 100% 89% 0.029 0.9950.57 0.07 - -00100%1
4ITB_EDO_A_503 100% 88% 0.028 0.990.38 0.29 - -00100%1
4FQI_EDO_A_401 100% 85% 0.032 0.9920.46 0.29 - -00100%1
4KXW_EDO_A_1003 100% 73% 0.033 0.9930.64 0.4 - -00100%1
8JK3_EDO_A_304 100% 81% 0.033 0.9920.22 0.58 - -00100%1