Table 1

Data collection and refinement statistics

DATA COLLECTION


a (Å)

80.08

b (Å)

202.70

c (Å)

39.37

Resolution range (Å)

27.2–3.2

Independent reflections

10,825

Multiplicity1

2.7(2.6)

Completeness (%)

96.2(92.4)

I/σ

8.1(2.1)

Rmerge(%)2

5.7(34.5)

MODEL REFINEMENT

Nonhydrogen atoms

4479

Rmodel (%)3

28.8

Rfree (%)4

23.1

r.m.s deviation from ideal bond lengths (Å)

0.007

r.m.s deviation from ideal angles (°)

1.4

Average B-factor (Å2)

75.3

PBD ID

1o9x


1Values for the outermost resolution shell are given in parentheses. 2 Rmerge = 100 × ∑hj|Ihj - Ih|/∑hjIhj where Ih is the weighted mean intensity of the symmetry related reflections Ihj 3 Rmodel = 100 × ∑hkl|Fobs - Fcalc|/∑hklFobs where Ih where Fobs and Fcalc are the observed and calculated structure factors respectively. 4Rfree is the Rmodel calculated using a randomly selected 5% sample of reflection data omitted from the refinement.

Zunszain et al. BMC Structural Biology 2003 3:6   doi:10.1186/1472-6807-3-6

Open Data