. Author manuscript; available in PMC: 2008 Oct 17.

Published in final edited form as: Biochemistry. 2007 Feb 14;46(10):2842–2855. doi: 10.1021/bi602436g

Table 1.

Summary of data collection and processing statistics.

	EcPurE- NO₂-AIR	EcPurE- H45N-CAIR	EcPurE- H45Q-CAIR	EcPurE- H45Q- NO₂-AIR

PDB ID	2ATE	2NSL	2NSJ	2NSH
resolution (Å)	30-1.8	50-2.0	50-2.3	50-1.8
wavelength (Å)	0.981	1.542	0.979	0.979
space group	I422	I422	I422	I422
# of reflections	34010	81423	53069	96435
# of unique refl	13604	10623	8526	14561
Redundancy	2.5	7.7(7.5)	6.2(6.3)	6.6(5.4)
completeness(%)	89.9(69.1)	98.7(96.4)	95.3(99.7)	99.2(100)
R_sym (%)	7.2(24.9)	10(55.5)	13(26.6)	9.0(44.9)
I/σ	16.0	21.8(4.5)	12.5(4.5)	17.9(3.7)

Values for the highest resolution shell are given in parentheses.

R_sym=ΣΣ_i|I_i - <I> | /Σ<I>, where <I> is the mean intensity of the N reflections with intensities I_i and common indices h,k,l.