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Table 3 Statistics of X-ray diffraction data collection and structure refinement

From: Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1

 

β-matriptase-N164Q:benzamidine

β-matriptase-N164Q:SFTI-1

Diffraction data

Space group

C222

P41212

Cell parameters (Ã…)

66.9, 141.7, 52.0

75.9, 75.9, 94.1

Rmerge (%)a

0.1 (0.5)a

0.1 (0.5)a

Completeness (%)

91.6 (94.6)a

98.9 (100.0)a

Average I/σ

18.3 (1.5)a

38.5 (3.0)a

Data redundancy

5.7 (2.9)a

12.1 (11.1)a

Refinement

   Resolution (Å)

70.9-1.2

25.8-2.0

   Rwork/Rfree (%)

17.8/19.9

19.4/24.5

RMSD

  

   Bond length (Å)

0.006

0.003

   Bond angles (°)

1.20

0.70

Mean B factors (Ã…2)

12.5

50.7

Ramachandran plot, % residues in regions:

   Most favored

97.5

96.4

   Additionally allowed

2.5

3.6

   Generously allowed

0

0

   Disallowed

0

0

PDB ID Code

3P8G

3P8F

  1. aNumbers in the parentheses are for the highest resolution shell.