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. 2023 Dec 20;70(4):99–107. doi: 10.5458/jag.jag.JAG-2023_0003

Table 1. Data collection and refinement statistics.

	LrhKduI	LrhKduI	LrhKduI	LrhKduI
	LrhKduI	_HEPES	_MES	_MOPS
PDB	7VGK	7E4S	7YE3	7YRS
Data collection
Wavelength (Å)	1.0000	1.0000	1.0000	1.0000
Space group	P2₁2₁2₁	C2	C2	C2
Unit-cell parameters a, b, c (Å) β (°)	a = 94.2	a = 94.3	a = 93.0	a = 90.4
	b = 131	b = 189.3	b = 189.1	b = 187.4
	c = 157	c = 117.8	c = 114.9	c = 108.9
		β = 106.2	β = 107.1	β = 112.5
Resolution range (Å)	50-3.10 (3.15-3.10)^a	50-2.80 (3.15-3.10)^a	50-2.55 (2.97-2.80)^a	50-2.80 (2.97-2.80)^a
Total observed reflections	202706	148144	403935	158079
Unique reflections	35643	89592	119595	78223
Redundancy	5.7 (5.7)^a	1.65 (1.66)^a	3.38 (3.51)^a	2.02 (1.99)^a
Completeness (%)	99.4 (99.4)^a	92.3 (93.6)^a	98.3 (97.9)^a	96.2 (96.1)^a
I/σ(I)	20.7 (3.10)^a	6.59 (0.80)^a	17.34 (2.22)^a	6.36 (1.63)^a
R_merge (%)	8.6 (52.9)^a	13.8 (133.1)^a	5.00 (63.0)^a	10.2 (39.1)^a
Refinement
Resolution range (Å)	45.12-3.10 (3.20-3.10)^a	47.31-2.80 (3.02-2.80)^a	47.47-2.55 (2.59-2.55)^a	49.55-2.80 (3.02-2.80)^a
R _work (%)	18.96 (27.66)^a	16.46 (38.60)^a	20.55 (36.66)^a	18.51 (31.78)^a
R _free (%)	23.85 (36.57)^a	23.82 (44.63)^a	27.04 (47.02)^a	26.44 (43.18)^a
Residues/HOH/GOL/Ligand/Zn	1539/0/0/0/0	1646/31/0/6/5	1644/9/0/4/6	1646/0/0/4/6
Root-mean-square deviation
Bond lengths (Å)	0.009	0.008	0.013	0.011
Bond angles (°)	1.2	1.1	1.6	1.7

^a The highest resolution shell is shown in parentheses.