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Table 1 Diffraction data collection and refinement statistics

From: Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system

  EccB1mt
(PDB: 4KK7)
EccB1ms
(PDB: 5CYU)
cyto-EccD1mt
(PDB: 4KV2)
MBP-cyto-EccD1mt
(PDB: 4KV3)
Data collection     
Wavelength (Å) 1.0000 0.9789 1.0000 1.0000
Space group P212121 P6122 P6522 P65
Cell dimensions     
a, b, c (Å) 31.70, 110.63, 110.51 74.41, 74.41, 280.60 46.72, 46.72, 279.02 125.68, 125.68, 124.49
 α, β, γ, (°) 90, 90, 90 90, 90, 120 90, 90, 120 90, 90, 120
Resolution (Å) 49.48–1.68 (1.77–1.68)a 64.44–3.07 (3.15–3.07) 46.50–1.88 (1.98–1.88) 49.91–2.20 (2.32–2.20)
R sym 0.053 (0.895) 0.103 (2.22) 0.106 (0.872) 0.105 (0.983)
CC1/2 b 99.9 (50.0) 99.8 (56.0) 99.9 (88.1) 99.9 (82.9)
II 14.2 (1.4) 13.7 (1.0) 20.6 (3.5) 17.7 (3.2)
Completeness (%) 94.1 (88.8) 92.9 (91.2) 100.0 (100.0) 100.0 (100.0)
Multiplicity 4.7 (3.0) 8.3 (7.7) 13.4 (13.9) 11.5 (11.5)
Refinement     
Resolution (Å) 49.48–1.68 64.44–3.07 46.50–1.88 49.91–2.20
No. reflections (total/free) 42769/2118 8759/805 15842/794 56603/2862
R work/R free 0.177/0.214 0.241/0.297 0.188/0.236 0.163/0.205
No. atoms     
 Protein 2870 2650 1332 6970
 Ligand/ion 18 0 0 46
 Water 347 10 186 418
B-factors     
 Protein 29.2 92.3 28.4 42.2
 Ligand/ion 30.2    26.3
 Water 36.8 42.6 34.5 42.3
 Wilson B 33.8 113.7 30.1 63.0
R.m.s. deviations     
 Bond lengths (Å) 0.009 0.008 0.010 0.008
 Bond angles (°) 1.347 1.060 1.331 1.220
Ramachandran distribution (%)c     
 Favored 97.4 92.2 100.0 98.2
 Outliers 0.0 0.0 0.0 0.2
  1. aValues in parentheses are for the highest-resolution shell
  2. bHalf-set correlation coefficient CC1/2 as defined in Karplus and Diederichs [56] and calculated using XSCALE [36] or Scala [57]
  3. cCalculated using the MolProbity server (http://molprobity.biochem.duke.edu) [58]