Table 1 X-ray data collection and refinement parameters for caspase-11 CARD.

From: Crystal structure of caspase-11 CARD provides insights into caspase-11 activation

No. of reflections (total/unique)

302,171/51,251

Space group

P212121

Redundancya

5.89 (5.77)

Unit cell parameters

 a, b, c (Å)

77.31, 145.16, 187.72

 α, β, γ (°)

90, 90, 90

No. of measured reflections

302,171 (45,074)

No. of unique reflections

51,251 (7804)

Completeness (%)a

97.3 (92.9)

 I/σ (I)a

20.64 (2.03)

R-meansa

0.069 (0.826)

CC (1/2)a

0.999 (0.808)

Refinement

Resolution (Å)

50–2.8

No. of protein atoms

12,882

R.m.s.d. bond lengths (Å)

0.011

R.m.s.d. bond angles (°)

1.173

Rwork (%)b

30.55

Rfree (%)c

34.01

Wilson B-factor

84.15

Ramachandran plot (favored/disallowed)

92.3/1.22

PDB code

6KXG

  1. Values in parentheses are for the highest-resolution shell.
  2. aRmeans = Σh(n/n − 1)1/2 Σi |Ii(h) − <I(h)>| / ΣhΣiIi(h), where Ii(h) and <I(h)> are the ith and the mean measurement, respectively, of the intensity of reflection h.
  3. bRwork = Σh ||Fobs (h)| − |Fcalc (h)|| / Σh | Fobs (h)|, where Fobs (h) and Fcalc (h) are the observed and calculated structure factors, respectively. No I/σ cutoff was applied.
  4. cRfree is the R-value obtained from a test set consisting of a randomly selected 5% subset of the data. The test set is excluded from refinement.
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