Table 1. Crystallographic data.
| Sac3 (250-563)-Thp1-Sem1 | PCID2 (201-399)-DSS1 | |||||
|---|---|---|---|---|---|---|
|
| ||||||
| native | Se peak | native | Se peak | Se inflection | Se remote | |
| Data collection | ||||||
| Space group | P4122 | P3121 | ||||
| Cell dimensions | ||||||
| a, b, c (Å) | 164.77, 164.77, 276.79 | 166.72, 166.72, 284.65 | 70.52, 70.52, 95.42 | 70, 70, 95 | ||
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 120 | 90, 90, 120 | ||
| Wavelength (Å) | 0.9795 | 0.9803 | 1.54179 | 0.9803 | 0.9805 | 0.9689 |
| Resolution (Å) | 20-2.9 (3.06-2.9)* | 30-4.2 (4.43-4.2) | 30-2.12 (2.23-2.12) | 60.98-3.4 (3.58-3.4) | 60.8-3.4 (3.58-3.4) | 60.65-3.4 (3.58-3.4) |
| R pim | 6.7 (42.8) | 4.8 (23.5) | 3.1 (36.4) | 8.6 (18.6) | 8.6 (21.8) | 8.1 (19.2) |
| I / σI | 7.4 (1.9) | 12.5 (3.5) | 14.1 (2.3) | 8.0 (4.2) | 8.3 (3.8) | 8.8 (4.4) |
| Completeness (%) | 99.7 (100) | 99.7 (100) | 91.0 (94.6) | 86.4 (69.8) | 86.5 (70.3) | 87.0 (71.3) |
| Redundancy | 7.0 (7.0) | 14.1 (14.6) | 7.3 (5.6) | 9.8 (10.5) | 10 (10.4) | 9.9 (10.4) |
| No. reflections | 591,489 (85,034) | 422,691 (63,007) | 106,955 (12,010) | 34,358 (4,212) | 34,866 (4,128) | 34,730 (4,284) |
| Refinement | ||||||
| Resolution (Å) | 20-2.9 | 30-2.12 | ||||
| Rwork / Rfree | 20.8 / 23.1 | 20.5 / 23.1 | ||||
| No. atoms | ||||||
| Protein | 26387 | 3753 | ||||
| Water | - | 33 | ||||
| B-factors | ||||||
| Protein | 49.4 | 46.8 | ||||
| Water | - | 45.6 | ||||
| r.m.s deviations | ||||||
| Bond lengths (Å) | 0.011 | 0.003 | ||||
| Bond angles (°) | 0.91 | 0.65 | ||||
*
Values in parentheses are for highest-resolution shell.