Table 2: Data collection and refinement statistics.

From: Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism

CrystalTmPPase:IDP complexTmPPase:WO4VrPPase:Pi complex
Data collection
 Space groupP212121P21C2
 Cell dimensions
  a, b, c (Å)106.4, 106.8, 161.983.7, 108.9, 105.8225.7, 81.6, 264.8
  β (°)90108.892.9
 SourceDLS—i04ESRF ID23-1NSRRC—BL15A1
 Wavelength0.97951.2141.000
 Resolution (Å)*30–3.49 (3.70–3.49)25–4.0 (4.1–4.0)30.0–3.50 (3.62–3.50)
Rmerge (%)*9.3 (140.8)5.5 (42.6)16.8 (117.5)
I/σ*15.83 (1.35)14.3 (3.65)7.5 (1.11)
 Completeness (%)*99.5 (98.6)98.8 (92.8)92.2 (85.1)
 Redundancy*8.8 (8.6)3.8 (3.4)3.5 (3.5)
    
Refinement
 Resolution (Å)3.54.03.5
 No. of reflections23,90429,59754,540
Rwork(%)/Rfree(%)23.9/26.823.2/27.922.6/30.4
 No. of atoms10,4439,80821,413
  Protein10,389 (1,450 residues)9,794 (1,383 residues)21,385 (2,914 residues)
  IDP, Pi or WO436 (2 IDP)10 (2 WO4)20 (4 Pi)
  Mg2+1028
  Na+2
 No. of chains/ASU224
 B-factors (Å2)
  All atoms139134.9119.6
  Protein138.9133.0119.5
  IDP, Pi or WO4167.8 (IDP)198.5159.4 (Pi)
  Mg134.9151.6107.9
  Na112.7
 r.m.s.d.
  Bond length (Å)0.0050.0040.01
  Bond angle (°)1.061.191.48
  1. *Values in the parenthesis are for the highest resolution shell.
  2. Rmerge=Σ|I−<I>|/ΣI, where I=observed intensity, and <I>=average intensity from multiple observation of symmetry related reflections.