TABLE 1.

Data collection and refinement statistics for the structures of NarG^H49CHI, NarG^H49SHI, and NarG^R94SHI

Mutant	NarGH49CHI	NarGH49SHI	NarGR94SHI
PDB code	3IR5	3IR6	3IR7
Data collection
Resolution (Å)	30.0-2.3	30.0-2.8	25.0-2.5
Unique reflections	114,119	63,564	89,737
Completeness (%)a	99.6 (98.6)	99.8 (96.7)	99.8 (99.8)
Rmerge (%)a,b	10.1 (44.0)	10.5 (46.0)	8.7 (40.3)
I/σ	14.7	14.5	13.3
Refinement
Rwork (%)c	20.0	18.8	20.2
Rfree (%)d	23.7	24.9	24.3
Average B factor (Å2)	33.6	40.6	36.7
r.m.s.d. bond lengthe (Å)	0.007	0.008	0.007
r.m.s.d. bond angles (°)	1.5	1.4	1.4

^a Values in parentheses are for the highest-resolution shell.

^b R_merge = S|(I_hkl)-<I>|/S(I_hkl), where I_hkl is the integrated intensity of a given reflection.

^c R_work = (S|F_o−F_c|)/(SF_o), where F_o and F_c are observed and calculated structure factors.

^d 6% of reflections were excluded from the refinement to calculate R_free.

^e r.m.s.d., root mean square deviation.