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. Author manuscript; available in PMC: 2023 Feb 10.
Published in final edited form as: J Med Chem. 2022 Jan 26;65(3):2409–2433. doi: 10.1021/acs.jmedchem.1c01852

Table 2.

Summary of Key Crystallographic Parameters

16 open 16 closed 21 open 21 closed
PDB entry 7QGA 7QGM 7QGL 7QGO
crystallizationbuffer 10 mM 16, 100 μM ZnCl2, 8% PEG 6000, and 0.1 M MES (pH 6.2) 10 mM 16, 10 μM ZnCl2, 10% PEG 3350, and 0.1 M BisTris (pH 5.6) 10 mM 21, 100 μM ZnCl2, 8% PEG 6000, and 0.1 M MES (pH 6.2) 10 mM 21, 10 μM ZnCl2, 10% PEG 4000, and 0.1 M BisTris (pH 5.7)
final buffer 10 mM 16 and 20% PEG200 10 mM 16 and 20% PEG200 10 mM 21 and 20% PEG200 10 mM 21 and 20% PEG200
dmin (Å) 1.5 2.9 1.5 2.21
CC1/2a 0.603 0.649 0.743 0.250
Rwork/Rfree (%) 0.165/0.184 0.261/0.294 0.158/0.175 0.227/0.269
Bprotein (Å2) 12.4 99.1 12.0 83.9
a

CC1/2 in the highest-resolution shell. See Table S1 for further details.