Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| D535N with G4 | W470A with G5 | W470A with G6 | W470A with G7 | W470A/E564Q with G9 | |
|---|---|---|---|---|---|
| Wavelength (Å) | 0.97939 | 0.91769 | 0.91769 | 0.97908 | 0.97914 |
| Space group | C2 | C2 | C2 | C2 | C2221 |
| a, b, c (Å) | 160.25, 198.94, 134.59 | 156.52, 200.32, 134.28 | 156.54, 199.83, 133.88 | 156.34, 199.27, 133.74 | 160.66, 206.28, 258.05 |
| α, β, γ (°) | 90.00, 104.87, 90.00 | 90.00, 100.84, 90.00 | 90.00, 100.79, 90.00 | 90.00, 100.77, 90.00 | 90.00, 90.00, 90.00 |
| Resolution range (Å) | 25.75–3.10 (3.27–3.10) | 38.77–3.10 (3.15–3.10) | 38.44–3.10 (3.15–3.10) | 40.48–3.20 (3.26–3.20) | 46.15–3.40 (3.49–3.40) |
| No. of unique reflections | 73585 (10713) | 73503 (3642) | 73954 (3680) | 66972 (3348) | 58913 (4334) |
| Completeness (%) | 99.8 (99.9) | 99.6 (99.7) | 99.8 (99.9) | 99.9 (100.0) | 99.6 (100.0) |
| Multiplicity | 3.7 (3.8) | 3.6 (3.6) | 3.8 (3.7) | 3.8 (3.7) | 7.3 (7.5) |
| 〈I/σ(I)〉 | 6.70 (1.30) | 18.58 (1.03) | 15.74 (0.98) | 13.43 (1.12) | 8.31 (1.44) |
| CC1/2 | 0.991 (0.564) | (0.470)† | (0.427)† | (0.624)† | 0.998 (0.588) |
| R r.i.m. | 0.141 (1.055) | 0.053 (1.073) | 0.067 (1.046) | 0.068 (0.873) | 0.125 (1.081) |
†
HKL-2000 did not report the overall CC1/2, only CC1/2 values for each resolution shell.