Table 1. Data collection.
Data set | Resolution, Å | λ, Å | Completeness, %* | Rsym*† | I/σI* | Phasing power, iso/ano‡ | Rculliv iso/ano§ |
---|---|---|---|---|---|---|---|
Peak | 50—3.1 | 1.37837 | 98.2 (94.3) | 0.071 (0.418) | 12.9 (2.2) | 0.84/1.2 | 0.86/0.77 |
Inflection point | 50—3.1 | 1.37944 | 98.3 (94.5) | 0.074 (0.459) | 12.2 (2.0) | 0.70/1.3 | 0.89/0.76 |
High energy remote | 50—3.1 | 1.34766 | 97.2 (91.6) | 0.078 (0.481) | 10.8 (2.0) | —/0.92 | —/0.84 |
Overall figure of merit to 3.1 Å: 0.44 | |||||||
Native | 50—2.8 | 1.37837 | 99.5 (99.7) | 0.083 (0.491) | 13.4 (3.1) | — | — |
The numbers in parentheses correspond to the highest resolution bin
Rsym = Σ|Ihkl — 〈I〉|/Σ|Ihkl|, where Ihkl is the observed intensity and 〈I〉 is the average intensity of multiple symmetry-related observations of that reflection
Phasing power = , where Fh is the heavy-atom structure factor amplitude and ε is the residual lack of closure error
Rcullis = , where ε is the residual lack of closure error and Δiso,ano indicates the isomorphous (dispersive) or anomalous structure factor amplitude differences