Table 1 Summary of 2-HIS data collection and refinement statistics.

Space group

P2₁

P2₁2₁2₁

P2₁2₁2₁

Unit Cell

a = 50.1 Å

a = 73.8 Å

a = 73.9 Å

b = 73.8 Å

b = 96.0 Å

b = 96.0 Å

c = 148.7 Å

c = 154.6 Å

c = 154.6 Å

β = 93.5°

Resolution(Å)

2.0

3.0

3.0

Wavelength(Å)

0.97899

0.97905

0.97918

Unique reflections

71557 (6400)

22817 (2496)

22829 (2243)

Completeness(%)

98.0 (87.78)

99.9 (99.8)

99.9 (99.8)

R_sym (%)*

6.9 (36.6)

18.1 (68.9)

18.4 (76.9)

I/σ(I)

17.9 (2.2)

10.2 (3.2)

10.5 (2.7)

Figure of merit

0.44

R factor (%)

19.16

R_free (%)

22.78

Number of protein atoms

7154

Number of water molecules

463

Average B-factors (Å2)

44.0

R.m.s.d. from ideal values

 Bond length (Å)

0.003

 Bond angle (°)

0.525

Ramachandran plot

 Favored (%)

97

 Allowed (%)

3

 Outliers (%)

0