Table 1 Data collection and refinement statistics

From: Crystal structure of Fis1 and Bap31 provides information on protein-protein interactions at mitochondria-associated ER membranes

Crystalsa

Fis1_∆TM(Crystal Form 1)

Fis1_∆TM(Crystal Form 2)

Fis1_∆TM+Bap31_vDED

Data collection

 X-ray source

PLS-5C

PLS-5C

PLS-5C

 X-ray wavelength (Å)

1.000

1.000

1.000

 Space group

P21

P41212

C222

 Unit cell parameters (Å,°)

a = 44.82, b = 56.28 c = 57.01α = 90, β = 100.07, γ = 90.00

a = 56.07, b = 56.07, c = 97.66α = β = γ = 90.00

a = 104.63, b = 237.27, c = 90.62 α = β = γ = 90.00

 Resolution range (Å)b

50.0‒2.30 (2.35‒2.30)

50.0‒1.70 (1.73‒1.70)

50.0‒2.69 (2.76‒2.69)

 Total/unique reflections

74,451/12,419

147,301/17,973

259,435/31,733

 Completeness (%)

99.4 (97.8)

99.9 (99.9)

99.8 (99.9)

 I/σI

15.6 (2.4)

25.2 (3.6)

39.3 (1.16)

 Rsym (%)c

8.5 (68.9)

7.4 (96.9)

4.7 (158.2)

 Redundancy

6.0 (4.9)

8.2 (8.1)

8.2 (8.3)

Model Refinement

 Rwork/Rfree (%)d

22.62/25.03

18.76/22.15

24.99/28.54

Number of nonhydrogen atoms

 Protein/Water

1971/10

1018/62

4732/25

Average B factor (Å2)

 Protein/Water

38.23/39.92

14.99/25.50

51.47/27.25

R.m.s. deviations from ideal geometry

 Bond lengths(Å)/Bond angles (°)

0.0012/0.31

0.018/1.57

0.007/0.91

Ramachandran plot (%)

 Favored/Allowed/Outliers

99.15/0.85/0

98.37/1.63/0

96.92/2.91/0.17

 PDB code

7YKA

7YA9

8XWX

  1. aCrystal contained Fis1_∆TM (residues 1−123) and Bap31_vDED domain (residues 168−233 + SAAA).
  2. bValue in parentheses is for the highest-resolution shell.
  3. cRsym = Σh Σi | I(h)i – < I(h) > | / Σh Σi I(h)i, where I(h) is the intensity for reflection h, Σh is the sum for all reflections, and Σi is the sum for i measurements of reflection h.
  4. dR = Σ| |Fobs| – |Fcalc| | / Σ |Fobs|, where Rfree is calculated for a randomly chosen 5% of reflections, which were not used for structure refinement, and Rwork is calculated for the remaining reflections.
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