A robust bulk-solvent correction and anisotropic scaling procedure - PubMed (original) (raw)

Figure 3

Flat bulk-solvent model parameters k sol and B sol for 35 structures selected from the PDB (PDB codes 1ci3, 1gzk, 1jh7, 1jj1, 1jvx, 1jzb, 1ev8, 1evf, 1k33, 1ijk, 1izr, 1kk7, 1kzn, 1lee,1 lfv, 1dzj, 1m5u, 1m8s, 1nfg, 1oz4, 3gwx, 1ev5, 1evg, 1f3u, 1g1b, 1p9h, 1r30, 1tve, 1hw3, 1hw4, 1ijb, 1izp, 1izq, 1ktk, 2gwx). Blue diamonds and red squares correspond to the bulk-solvent parameters calculated in CCTBX using least-squares (LS) and maximum-likelihood (ML) target functions, respectively. Black triangles represent the bulk-solvent parameters reported in the PDB file under keywords ‘KSOL’ and ‘BSOL’.