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. 2019 Dec 24;8:e50793. doi: 10.7554/eLife.50793

Table 1. Data collection and refinement statistics of IRE1LDQ105C SS.

Data collection
Synchrotron stations Dls i04-1
Space group P6522
a,b,c; Å 182.77, 182.77, 68.45
α, β, γ; ⁰ 90.00, 90.00, 120.00
Resolution, Å 91.39–3.55 (3.89–3.55)*
Rmerge 0.180 (2.242)*
I/σ(I) 11.7 (1.5)*
CC1/2 1.000 (0.797)*
No. of unique reflections 8590 (1996)*
Completeness, % 100.0 (100.0)*
Redundancy 19.3 (19.9)*
Refinement
Rwork/Rfree 0.323/0.332
No. of atoms (non H) 1784
Average B-factors 127
RMS Bond lengths Å 0.003
RMS Bond angles,⁰ 0.606
Ramachandran favoured region, % 95.85
Ramachandran outliers, % 0
MolProbity score† 1.51 (100th)
PDB code 6SHC

* Values in parentheses are for highest-resolution shell.

† 100† 100th percentile is the best among structures of comparable resolutions. 0th percentile is the worst.