Table 1.
The data collection of SeMETTL4 for structure determination
| SeMETTL4-MAD | |||
|---|---|---|---|
| Data collection | |||
| Space group | P21 | P21 | P21 |
| Cell parameter | |||
| a, b, c (Å) | 60.1, 94.2, 95.7 | 60.3, 94.4, 96.0 | 60.2, 94.3, 95.5 |
| α, β, γ (°) | 90.0, 101.8, 90.0 | 90.0, 101.8, 90.0 | 90.0, 101.8, 90.0 |
| Wavelength(Å) | 0.96108 | 0.97956 | 0.97943 |
| Resolution (Å) | 30.0-2.80 | 30.0-2.80 | 30.0-2.80 |
| Last shell (Å) | (2.90-2.80) | (2.90-2.80) | (2.90-2.80) |
| Completeness (%) | 99.3 (99.0) | 99.6 (98.0) | 99.2 (98.1) |
| Redundancy | 1.9 (1.9) | 3.7 (3.5) | 1.9 (1.9) |
| I/σ(I) | 9.9 (1.2) | 10.5 (0.8) | 9.9 (1.0) |
| Rmerge (%) | 6.2 (50.8) | 9.2 (108.8) | 5.9 (57.3) |
| No. reflections | 50,092 (5006) | 26,052 (2544) | 50,458 (4970) |
| CC* | 0.844a | 0.691a | 0.811a |
aThe values in parentheses are for highest resolution shell.
bThe statistics CCb is an estimate of the “true” CC data under examination to the (unknown) true intensities.