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.