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. 2017 May 6;74(19):3577–3598. doi: 10.1007/s00018-017-2533-x

Table 1.

Data collection and refinement statistics for DACM-WT-TTR and DACM-M-TTR

Crystala DACM-WT-TTR DACM-M-TTR
Space group P 21221 P 212121
Unit cell constants (Å)

a = 43.68, b = 64.49, c = 85.27

α, β, γ = 90 °C

a = 64.44, b = 83.76, c = 86.53

α, β, γ = 90 °C

Resolution (Å) 22.35–1.42 (1.50–1.42) 22.04–1.70 (1.79–1.70)
R merge (%)b 9.7 (73.0) 11.1 (77.2)
I/σI 8.1 (2.1) 8.1 (1.9)
Completeness (%) 99.1 (99.2) 99.5 (99.8)
Multiplicity 5.0 (5.0) 4.1 (4.3)
Molecules per asymmetric unit 2 4
Refinement
 R work (%)c 16.0 15.0
 R free (%) 21.7 22.3
Ramachandran plot, n (residues)
 Most favored region 200 421
 Allowed region 3 8
 Outliers 0 2
RMSDd 0.31 Å 114/114 Cα 0.60 Å 115/115 Cα

aValues given in parenthesis refer to the high-resolution shell

b R merge = Σhkl ΣjIhkl,j − IhklhklΣjIhkl,j where I is the observed intensity and I is the average intensity

c R work = ΣhklFo − FchklFo for all data except 5–10%, which were used for the R free calculation

dRMSD values calculated from the structural superposition of the DACM-WT-TTR and DACM-M-TTR structures with the non-labeled WT-TTR (pdb code: 1BMZ) and M-TTR (pdb code: 1GKO)