. 2021 Jan 1;77(Pt 1):75–85. doi: 10.1107/S2059798320014540

Table 3. Comparison of refinement statistics for thermolysin.

Uncorrected data and data corrected for dynamical scattering, as well as different charge states of the Zn atom, are compared.

	Zn		Zn^0.5+		Zn^0.75+		Zn¹⁺		Zn²⁺
	Uncorrected data	Corrected data	Uncorrected data	Corrected data	Uncorrected data	Corrected data	Uncorrected data	Corrected data	Uncorrected data	Corrected data
Zinc B factor (Å²)	16.34	24.25	16.07	28.23	17.47	35.78	15.35	43.38	37.11	84.27
〈B factor〉 (His142 NE2, His146 NE2, Glu143 OE2, Glu166 OE2, Tyr157 OH, His231 NE2) (Å²)	28.51	33.92	28.81	32.50	29.10	33.01	28.74	33.59	28.51	32.33
R _work	0.210	0.184	0.211	0.175	0.211	0.175	0.211	0.175	0.202	0.179
R _free	0.292	0.238	0.292	0.240	0.292	0.240	0.298	0.240	0.298	0.251