Table 1.
Crystallographic and refinement statistics
| Data set | Resolution, Å | Unique reflections | Redundancy | Completeness, % | Rmerge, % | Riso, % | PP | PPano | Rcullis, % | FOM, % |
|---|---|---|---|---|---|---|---|---|---|---|
| Native | 2.4 | 2481 | 8.9 | 99.6 | 5.7 | |||||
| K2PtCl4 | 3.1 | 1116 | 6.9 | 100.0 | 7.0 | 21.6 | 1.69 | 0.38 | 0.70 | 40.9 |
| to 3.5 Å | ||||||||||
| Mutant | 2.5 | 2143 | 6.9 | 99.6 | 6.1 | 13.9 | ||||
| K2PtCl4 | 3.1 | 1106 | 9.4 | 99.8 | 9.3 | 25.9 | 1.46 | 0.76 | 32.0 |
Rmerge = 100 × ΣhΣi|Ii(h) − 〈I(h)〉|/ΣhΣiIi(h), where Ii(h) and 〈I(h)〉 are the ith and mean measurement of the intensity of reflection h.
Riso = Σ|Fph − Fp|/ΣFp, where Fph and Fp are derivative and native structure factor amplitudes, respectively.
PP (phasing power) = 〈Fh〉/E, where 〈Fh〉 is the rms heavy atom structure factor amplitude and E is the residual lack of closure error.
Rcullis (Cullis R factor) = Σ∥Fph ± Fp| − Fh(calc)|/Σ|Fph ± Fp|, where Fh(calc) is the calculated heavy atom structure factor amplitude.
FOM, the mean figure of merit.