Table 3.
Data collection and reduction statistics of the merged data for the four crystals and structure determination parameters. Values in parentheses correspond to the highest resolution shell, unless otherwise indicated.
| Crystal | D1 | D5 | D6 | D7 |
|---|---|---|---|---|
| Resolution (Å) | 50–2.2 (2.33–2.2) | 50–2.2 (2.33–2.2) | 50–2.2 (2.33–2.2) | 50–2.2 (2.33–2.2) |
| Multiplicity | 9.5 (7.7) | 9.3 (7.6) | 21.3 (18.5) | 34.0 (29.3) |
| Completeness (%) | 100 (100) | 99.9 (99.5) | 100 (99.1) | 99.9 (99.0) |
| Rmeas | 5.2 (23.9) | 6.5 (21.5) | 4.3 (23.8) | 5.1 (14.3) |
| I/σ(I) | 32.5 (10.8) | 25.9 (9.9) | 61.4 (12.9) | 62.7 (24.2) |
| ΔF/σ(ΔF) | 1.51 (1.05) | 2.35 (1.43) | 1.40 (0.87) | 1.50 (1.01) |
| ΔF/σ(ΔF) 50–2.9 Å (2.98–2.9 Å) | 2.04 (1.7) | 2.85 (2.85) | 1.95 (1.24) | 1.92 (1.44) |
| Anomalous Corr (%) | 43 (27) | 73 (48) | 28 (10) | 44 (18) |
| Anomalous Corr (%) 50–2.9 Å (2.98–2.9 Å) |
66 (54) | 85 (80) | 57 (33) | 71 (52) |
| Best CCall/CCweak (shelxd)a | 22.2/11.7 | 15.7/6.7 | 35.9/20.1 | 42.2/24.0 |
| pseudofree_CC original/inverted (%) (shelxe) | 49.2/48.8 | 43.2/43.8 | 58.7/70.5 | 59.7/69.7 |
| Structure solved by shelxd/shelxe | No | No | Yes | Yes |
a
Data were truncated to 2.9 Å (D1, D5) or 2.2 Å (D6, D7).