Table 1 Summary of X-ray data collection and refinement statics.
From: Molecular and structural basis of anti-DNA antibody specificity for pyrrolated proteins
Data collection | |
|---|---|
Detector | EIGER16M |
Wavelength (Å) | 0.899995 |
Space group | P212121 |
Resolution (Å) | 47.182–1.990 (2.000–1.990)* |
Unit cell parameters | |
a, b, c (Å) | 71.66, 83.36, 112.58 |
Total reflections | 312,822 (46,056) |
Unique reflections | 92,507 (14,760) |
Completeness (%) | 99.1 (97.9) |
Redundancy | 3.38 (3.12) |
Rmeas (%) | 15.0 (139.3) |
CC 1/2 (%) | 0.993 (0.460) |
<I/ σ (I)> | 5.89 (1.10) |
Refinement parameters | |
Resolution (Å) | 19.981–2.000 (2.071–2.000)* |
No. of reflections | 48,192 (4714) |
Rwork/Rfree (%) | 0.2414/0.2981 |
No. of atoms | |
Proteins | 5187 |
Water | 382 |
R.m.s. deviations | |
Bond length (Å) | 0.015 |
Bond angles (°) | 2.32 |
Ramachandran plot | |
Favored (%) | 96.54 |
Allowed (%) | 2.83 |
Outliers (%) | 0.63 |
