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. Author manuscript; available in PMC: 2013 Feb 1.

Published in final edited form as: Mol Microbiol. 2012 Jan 10;83(3):457–470. doi: 10.1111/j.1365-2958.2011.07919.x

Table 1.

Data collection and refinement statistics

	Wild-type AphB	N100E AphB
Data collection
Space group	I222	C121
Cell dimensions
a, b, c (Å)	77.5, 94.6, 59.6	268.7, 54.5, 103.8
β (°)	90.0	101.0
Resolution (Å)	89.8 -2.2 (2.3-2.2)	48.1-2.7(2.8-2.7)
R_meas	0.089(0.416)	0.077(0.472)
I/σI	13.1(4.1)	21.08(4.67)
Completeness (%)	99.6 (99.4)	99.7 (99.4)
Redundancy	4.9 (4.9)	7.4 (7.6)
Refinement
Resolution (Å)	48.1-2.2 (2.3-2.2)	48.1-2.7 (2.8-2.7)
No. reflections	49,907	39,763
R_work/ R_free	0.208/0.234 (0.264/0.305)	0.201/0.237 (0.271/0.312)
No. atoms
Protein	4631	9302
Water	349	200
B-factors
Protein	48.5	53.7
Water	43.8	37.8
R.m.s deviations
Bond lengths (Å)	0.008	0.002
Bond angles (°)	1.11	0.634

^*

Highest resolution shell is shown in parenthesis