Table 1.
Data collection, phasing and refinement statistics
| Data set | Native
|
Recombinant
|
|||||||
|---|---|---|---|---|---|---|---|---|---|
| CdCl2 | Xe | K2PtCl4 | K2PtCl4 + Xe | ||||||
| Wavelength, Å | 0.933 | 0.934 | 1.488 | 0.87 | 1.488 | 0.87 | 1.488 | 0.87 | 0.87 |
| Resolution, Å | 36.4–2.0 | 34.8–2.7 | 48.8–2.8 | 41.3–2.6 | 58.7–2.8 | 40.8–2.5 | 36.3–2.8 | 58.7–3.0 | 25.0–2.8 |
| Completeness, % | 98.3 | 99.6 | 99.6 | 98.9 | 100 | 97.3 | 99.5 | 99.9 | 99.7 |
| I/σ(I) | 16.5 | 12.8 | 25.6 | 11.0 | 38.6 | 11.9 | 16.9 | 30.0 | 18.1 |
| Redundancy | 10.2 | 5.7 | 6.3 | 3.4 | 15.1 | 3.3 | 4.9 | 16.2 | 6.5 |
| Rmerge, %* | 8.1 | 7.4 | 5.1 | 6.7 | 5.7 | 5.2 | 5.5 | 7.7 | 5.5 |
| Riso, %† | – | – | – | – | 22.8 | 23.0 | 24.0 | 23.0 | 27.9 |
| Acentric Rcullis‡ | – | – | – | – | 0.80 | 0.81 | 0.94 | 0.94 | 0.95 |
| Anom. Rcullis‡ | 0.70 | 0.89 | 0.91 | 0.84 | 0.90 | ||||
| Centric Rcullis‡ | – | – | – | – | 0.85 | 0.86 | 0.90 | 0.91 | 0.92 |
| No. sites | – | – | – | – | 3 | 3 | 7 | 7 | 7 + 3 |
*
Rmerge = ∑hkl∑sym|I − 〈I〉|/∑hklI;
†
Riso = ∑hkl|Fder − Fnat|/∑hklFnat
‡
Isomorphous Rcullis = ∑hkl∥Fphobs| − |Fphcalc∥/∑hkl|Fph − Fp| = 〈loc〉/〈iso.diff.〉; (anomalous Rcullis = ∑hkl∥F+ − F−| − (2x|Fh"calc|)|/∑hkl|F+ − F−| = 〈loc〉/〈ano.diff.〉)