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Table 1 Data collection and refinement statistics

From: The structure of a prophenoloxidase (PPO) from Anopheles gambiae provides new insights into the mechanism of PPO activation

Crystal data

 

 Beam-line

19-ID APS

 Wavelength, Å

0.97915

 Space group

P 21

 Cell constants

a = 75.6 Å, b = 106.6 Å, c = 92.1 Å, β = 105.8°

 Resolution, Å

2.60

 Total reflections

214,320

 Unique reflections

43,019

 Completeness, %

99.0 (97.3)

 I/σ

8.9 (1.8)

 Rsym, %

12.9 (47.2)

Refinement statistics

 

 Reflection range used, Å

2.60–44.32

 No. reflections used

42,950

 Rwork/Rfree, %

18.8/23.3

 rmsd bonds, Å

0.0046

 rmsd angle, °

0.791

 Ramachandran plot (preferred/allowed), %

96.6/3.4

No. of atoms

 

 Protein

10,901

 Metal ions

4

 Waters

263

  1. R sym  = ∑|I obs - I avg|/ ∑ I avg; Rwork = ∑ ││F obs – F calc││/ ∑ F obs
  2. R free was calculated using 5 % data
  3. APS, Advanced Photon Source; I/σ, Intensity/Sigma (Intensity). Values in parentheses are for the highest-resolution shell 2.69–2.60 Å