Table 1 Data collection and refinement statistics (highest resolution shell in brackets)
From: High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster
Spn42Da-1 | Spn42Da-2 | |
|---|---|---|
Data collection statistics | ||
Beamline | Australian Synchrotron MX2 | Australian Synchrotron MX2 |
Oscillation range (°) | 1 | 1 |
Space group | C 2 2 21 | I 2 2 2 |
Cell parameters | a = 59.74, b = 125.95, c = 119.94. α = 90, β = 90, γ = 90. | a = 87.22, b = 109.77, c = 140.58. α = 90, β = 90, γ = 90. |
Resolution Range | 27.88- 1.7 (1.79 - 1.7) | 40.0 - 1.80 (1.9 - 1.8) |
Observed reflections | 378728 | 398398 |
Unique reflections | 50081 (7222) | 62423 (8962) |
Completeness (%) | 99.9 (100.00) | 99.6 (98.9) |
Rmerge | 0.100 (0.672) | 0.128 (0.935) |
I/σ (I) | 12.7 (3.1) | 7.3 (1.5) |
Refinement statistics | ||
Resolution range (Å) | 27.88 - 1.7 (1.761 - 1.7) | 37.06 - 1.80 (1.864 - 1.8) |
No. of protein atoms | 2927 | 2946 |
No. of water atoms | 344 | 377 |
Rwork/Rfree | 0.1651/0.1881 (0.2341/0.2497) | 0.1658/0.1854 (0.2774/0.3012) |
Rmsd from ideal bond length (Å) | 0.006 | 0.008 |
angles (°) | 1.03 | 1.09 |
Ramachandran plot (%) | ||
Favoured region | 99 | 99 |
Outlier region | 0 | 0 |