Data collection and phasing statisticsa
| . | Native . | SeMet λ1 . | SeMet λ2 . | SeMet λ3 . |
|---|---|---|---|---|
| Wavelength (Å) | 1.100 | 0.9795 | 0.9793 | 0.9567 |
| Resolution (Å) | 2.50 | 2.70 | 2.90 | 2.90 |
| High resolution shell (Å) | 2.59 to 2.50 | 2.80 to 2.70 | 3.00 to 2.90 | 3.00 to 2.90 |
| Unique reflections | 10,656 | 8,597 | 6,869 | 6,895 |
| Redundancy | 10.1 | 15.6 | 13.5 | 6.66 |
| Completeness (%) | 99.6 (100.0) | 99.6 (100.0) | 97.7 (98.2) | 97.6 (98.2) |
| 〈I/σ(I)〉 | 49.9 (6.8) | 37.0 (6.1) | 35.8 (7.7) | 22.3 (4.3) |
| Rsym (%) | 6.2 (35.3) | 7.9 (40.5) | 8.6 (29.3) | 8.0 (30.8) |
| Anomalous difference (%) | 4.81 | 5.80 | 5.40 | |
| Phasing power (centrics/acentrics) | 1.71/1.61 | 1.74/1.44 | 1.09/0.83 |
| . | Native . | SeMet λ1 . | SeMet λ2 . | SeMet λ3 . |
|---|---|---|---|---|
| Wavelength (Å) | 1.100 | 0.9795 | 0.9793 | 0.9567 |
| Resolution (Å) | 2.50 | 2.70 | 2.90 | 2.90 |
| High resolution shell (Å) | 2.59 to 2.50 | 2.80 to 2.70 | 3.00 to 2.90 | 3.00 to 2.90 |
| Unique reflections | 10,656 | 8,597 | 6,869 | 6,895 |
| Redundancy | 10.1 | 15.6 | 13.5 | 6.66 |
| Completeness (%) | 99.6 (100.0) | 99.6 (100.0) | 97.7 (98.2) | 97.6 (98.2) |
| 〈I/σ(I)〉 | 49.9 (6.8) | 37.0 (6.1) | 35.8 (7.7) | 22.3 (4.3) |
| Rsym (%) | 6.2 (35.3) | 7.9 (40.5) | 8.6 (29.3) | 8.0 (30.8) |
| Anomalous difference (%) | 4.81 | 5.80 | 5.40 | |
| Phasing power (centrics/acentrics) | 1.71/1.61 | 1.74/1.44 | 1.09/0.83 |
Values for the highest resolution shell are shown in parentheses. Rsym = Σ|I − 〈I〉|/Σ〈I〉 where I is the observed intensity and 〈I〉 is the mean intensity of multiple observations of symmetry-related reflections. Phasing power = 〈|FH|〉/E where FH is the heavy atom structure factor amplitude and E is the residual lack-of-closure error. Overall figure-of-merit (20 to 2.90 Å): 58%.