Table 1 Data collection and refinement statistics

From: Structure of MICU from non-metazoan Dictyostelium discoideum reveals unique characteristics

 

DdMICU (PDB: 9K6M)

DdMICU SeMet

Data collection

Space group

I4122

I4122

Cell dimensions

  

a, b, c (Å)

103.9, 103.9, 297.5

104.5, 104.5, 295.0

 α, β, ɣ (°)

90.0, 90.0, 90.0

90.0, 90.0, 90.0

Resolution (Å)

49.6–2.5 (2.60–2.50)

50.0–3.5 (3.56–3.50)

Rmergea

19.3 (62.3)

28.3 (89.9)

CC1/2

0.998 (0.815)

0.991 (0.927)

I / σI

18.5 (5.2)

29.1 (8.1)

Completeness (%)

99.9 (100.0)

99.9 (100.0)

Redundancy

25.4 (20.8)

24.6 (23.9)

Refinement

Resolution (Å)

49.1–2.5

 

No. unique reflections

28,114 (2816)

 

Rwork/Rfreeb (%)

22.1/26.0

 

No. atoms

 Protein

4214

 

 Ligand/ion

6

 

 Water

78

 

B-factors

  

 Protein

44.9

 

 Ligand/ion

40.0

 

 Water

34.2

 

R.m.s. deviations

 Bond lengths (Å)

0.009

 

 Bond angles (°)

1.40

 

Ramachandran plot (%)

Favored/allowed/disallowed

96.2/3.8/0.0

 
  1. Values in parentheses are for the highest resolution shell.
  2. aRmerge = ∑hi | I(h)i − ‹I(h)›|/[∑hi I(h)i], where I(h) is the intensity of reflection of h, ∑h is the sum over all reflections and ∑i is the sum over i measurements of reflection h.
  3. bRwork = ∑hkl ||Fo | − |Fc | |/(Σhkl | Fo | ); 5% of the reflections were excluded for the Rfree calculation.