EDO: 1,2-ETHANEDIOL



Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3TIY_EDO_A_304Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3TIY_EDO_A_304Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter3TIY_EDO_A_304Click 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
3TIY_EDO_A_304 82% 82% 0.091 0.9470.47 0.33 - -00100%1
3TIY_EDO_A_299 47% 81% 0.193 0.9330.42 0.41 - -10100%1
3TIY_EDO_A_302 45% 83% 0.167 0.90.45 0.34 - -40100%1
3TIY_EDO_A_301 36% 77% 0.2 0.8920.41 0.5 - -30100%1
3TIY_EDO_A_306 36% 86% 0.225 0.9170.33 0.38 - -10100%1
3TIY_EDO_A_300 33% 79% 0.214 0.8920.44 0.42 - -40100%1
3TIY_EDO_A_305 21% 81% 0.299 0.9080.4 0.42 - -20100%1
3TIY_EDO_A_308 20% 80% 0.231 0.8320.51 0.33 - -00100%1
3TIY_EDO_A_310 17% 89% 0.259 0.8390.3 0.33 - -50100%1
3TIY_EDO_A_303 16% 88% 0.191 0.7610.48 0.19 - -30100%1
3TIY_EDO_A_309 14% 91% 0.349 0.9070.45 0.13 - -70100%1
3TIY_EDO_A_307 13% 87% 0.343 0.8880.45 0.24 - -20100%1
6Q4K_EDO_A_303 74% 13% 0.091 0.9190.68 3.17 - 270100%1
3QTZ_EDO_A_452 52% 83% 0.148 0.9050.45 0.34 - -00100%1
3PXF_EDO_A_303 46% 82% 0.113 0.8480.47 0.33 - -00100%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