EDO: 1,2-ETHANEDIOL



Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter5NDF_EDO_D_603Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter5NDF_EDO_D_603Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter5NDF_EDO_D_603Click 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
5NDF_EDO_D_603 62% 69% 0.135 0.9271.12 0.1 - -10100%1
5NDF_EDO_E_603 37% 81% 0.182 0.8810.76 0.08 - -00100%1
5NDF_EDO_A_604 33% 64% 0.183 0.8611.05 0.34 - -00100%1
5NDF_EDO_B_603 25% 85% 0.157 0.7910.24 0.5 - -00100%1
5NDF_EDO_A_606 23% 77% 0.231 0.8540.69 0.24 - -00100%1
5NDF_EDO_A_605 16% 72% 0.209 0.7790.81 0.3 - -10100%1
5NDF_EDO_A_603 11% 29% 0.312 0.8331.39 1.43 - -20100%1
5NDF_EDO_F_603 7% 83% 0.285 0.7320.53 0.26 - -10100%1
5NDF_EDO_A_607 6% 83% 0.222 0.6460.47 0.31 - -00100%1
5NDF_EDO_C_603 1% 85% 0.368 0.447 0.57 0.19 - -00100%1
4D0Z_EDO_B_1572 81% 69% 0.099 0.9510.53 0.65 - -10100%1
5FV9_EDO_E_1573 66% 58% 0.139 0.9440.88 0.72 - -00100%1
5AJN_EDO_A_1587 62% 66% 0.127 0.9180.57 0.72 - -40100%1
4D0T_EDO_E_1573 57% 63% 0.146 0.920.71 0.71 - -10100%1
2G8S_EDO_A_3016 100% 84% 0.02 0.9920.42 0.35 - -00100%0.5
3DPJ_EDO_B_195 100% 82% 0.022 0.9940.47 0.34 - -10100%1
4EYG_EDO_A_402 100% 81% 0.024 0.9950.44 0.39 - -00100%1
4NMU_EDO_D_206 100% 92% 0.025 0.9970.38 0.14 - -00100%1
4Q6J_EDO_A_302 100% 82% 0.013 0.9990.37 0.42 - -00100%1