Table 1 Data collection and refinement statistics.
From: Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography
Data collection and refinement | SFX RC vir |
|---|---|
Data collection | |
Total number of recorded images | 2,744,614 |
Number of images >10 spots | 88,924 |
Number of confirmed diffraction patterns | 5,767 |
Number of indexed images | 1,175 |
Space group | P212121 |
Unit cell parameters | |
a, b, c (Å) | 57.9, 84.8, 384.3 |
α, β, λ (°) | 90, 90, 90 |
Resolution (Å) | 49.6–2.62 |
Data collection statistics in the range 50–3.5 Å | |
Completeness (%) | 99.1 (93.4) |
Multiplicity | 27.0 (27.6) |
Overall Rsplit on I (%) | 36.5 (52.7) |
Mean I/σ(I) | 3.50 (2.0) |
CC1/2* | 0.54 (0.32) |
Refinement | |
Refinement resolution limits (Å) | 49.6–3.50 (3.66–3.50) |
Number of unique reflections | 24,721 |
Rwork/Rfree | 29.4/32.7 |
Overall figure of merit (%) | 78 |
Number of atoms | 10,039 |
Protein | 9,224 |
Ligand/ion | 815 |
Root mean square (bonds, Å) | 0.02 |
Root mean square (angles, °) | 1.517 |
Average temperature factor (Å2) | 58.51 |
Wilson B factor (Å2) | 79.50 |
Cruickshank diffraction precision index (Å) | 0.749 |
