Table 2 X-ray data collection and atomic model refinement statistics

Unit cell parameters

   a (Å)

54.22

   b (Å)

111.61

   c (Å)

97.09

   β (°)

97.75

Wavelength (Å)

1.377

Limiting resolution (Å)

25.3-1.5 (1.53–1.50)

Unique reflections

180651

R_sym(%)^a

0.062 (0.481)

Multiplicity

6.6

Completeness overall (%)

99.1 (97.2)

<I/s(I)>

20.3 (3.3)

Refinement

Resolution range (Å)

25.3-1.5

Unique reflections, working/free

179673/916

Rfactor (%)^b

15.0

Rfree(%)

18.2

Non-hydrogen atoms

9602

Water molecules

1660

r.m.s.d. bonds(Å)

0.015

r.m.s.d. angles (°)

1.671

<B>

24.3