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. 2016 Oct 24;72(Pt 11):813–819. doi: 10.1107/S2053230X16016113

Table 3. Refinement statistics.

PDB code 5lsc
Final R work (%) 13.55
Final R free (%) 16.55
No. of non-H atoms
 Protein 3901 (chains A and B)
 Ions 6 Zn2+, 6 Cl
 Compound 1 56 (2 molecules)
 Water 644
R.m.s. deviations
 Bonds (Å) 0.008
 Angles (°) 1.233
Average B factors (Å2)
 Protein 17.6
 Ion 15.9
 Compound 1 (occupancy) 21.3 (0.99/0.98)
 Water 32.1
Ramachandran plot
 Most favoured (%) 98.3
 Allowed (%) 1.5