Ligand validation:4EKR

BME: BETA-MERCAPTOETHANOL

	Best-fitted instance in this entry
	Other instances in this entry

	Best-fitted instance in this entry
	Best-fitted PDB instances with same target (top 5)

	Best-fitted instance in this entry
	Best-fitted PDB instances with different target (top 5)

Identifier	Ranking for goodness of fit	Ranking for geometry	Real space R factor	Real space correlation coefficient	RMSZ-bond-length	RMSZ-bond-angle	Outliers of bond length	Outliers of bond angle	Atomic clashes	Stereochemical errors	Model completeness	Average occupancy
4EKR_BME_A_201	23%	87%	0.191	0.81	0.57	0.14	-	-	1	0	100%	0.7
4EKR_BME_B_202	9%	60%	0.23	0.719	1.04	0.49	-	-	0	0	100%	0.6
4EKR_BME_A_207	8%	43%	0.302	0.778	0.87	1.34	-	-	1	0	100%	0.5
4I7N_BME_A_201	94%	36%	0.087	0.985	0.26	2.19	-	1	0	0	100%	0.8
4I7T_BME_A_201	93%	45%	0.086	0.983	0.63	1.48	-	-	0	0	100%	1
4I7R_BME_B_207	93%	98%	0.078	0.973	0.27	0.02	-	-	3	0	100%	0.8
4I7M_BME_A_201	91%	83%	0.094	0.98	0.42	0.36	-	-	0	0	100%	1
4EKP_BME_B_206	77%	90%	0.103	0.942	0.25	0.36	-	-	1	0	100%	0.8
1E46_BME_P_302	100%	59%	0.026	0.993	0.51	1.03	-	-	0	0	100%	1
1DYF_BME_A_179	100%	79%	0.029	0.992	0.55	0.33	-	-	0	0	100%	1
1L56_BME_A_165	100%	74%	0.025	0.989	0.84	0.18	-	-	1	0	100%	1
1L73_BME_A_900	100%	77%	0.025	0.986	0.33	0.57	-	-	1	0	100%	1
1DYG_BME_A_179	100%	74%	0.033	0.991	0.57	0.44	-	-	0	0	100%	1

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.