. Author manuscript; available in PMC: 2012 Feb 22.

Published in final edited form as: Biochemistry. 2011 Jan 24;50(7):1274–1281. doi: 10.1021/bi101861a

Table 1.

Data Collection and Refinement Statistics for the Structure Determination of YghU. Values for the outer resolution shell are given in parentheses.

Data
PDB file name	3C8E
space group	P2₁2₁2₁
cell parameters (a,b,c) (Å)	58.197, 73.455, 130.810
Wave length of data collection (Å)	1.000
no. of unique reflections	95,609
resolution of data (Å)	50-1.41
highest resolution shell (Å)	1.46-1.41
R_merge	0.109 (0.551)
completeness (%)	87.7 (56.5)
redundancy	8.9 (3.0)
Refinement
resolution limits (Å)	20.0-1.50 (1.58-1.50)
completeness (%)	100 (100)
number of reflections used	80,150 (8,027)
number of reflections for R_free	8037 (882)
R_work	0.162 (0.215)
R_free	0.197 (0.272)
rms deviation bond length (Å)	0.019
rms deviation angle (°)	1.834
average B: protein/water/GSH (Å²)	13.8/22.9/12.0