Table 1.
Data collection and refinement statistics of apo-SRP72 and the SRP68/72 complex.a
| Hg2+-SRP68/72 | SRP68/72 complex (PDB: 5WRV) | Apo-SRP72 (PDB: 5WRW) | |
|---|---|---|---|
| Data collection | |||
| Wavelength | 1.0085 | 0.9792 | 0.9792 |
| Space group | P6322 | P6322 | P212121 |
| Cell dimensions | |||
| a, b, c (Å) | 122.22, 122.22, 78.78 | 120.60, 120.60, 80.00 | 83.44,123.72, 150.72 |
| α, β, γ (˚) | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 |
| Resolution (Å) | 50.00–2.45 (2.49–2.45) | 50.00–1.70 (1.73–1.70) | 50.00–2.91 (2.96–2.91) |
| Rsym (%) | 10.0 (67.9) | 5.9 (61.2) | 9.8 (63.1) |
| I/σ | 46.7 (2.6) | 62.2 (2.07) | 26.2 (2.3) |
| Completeness (%) | 100 (100) | 99.5 (99.9) | 99.9 (100) |
| Total no. of reflections | 794160 | 1454874 | 534438 |
| Unique reflections | 13423 | 38126 | 35059 |
| Redundancy | 29.7 (18.7) | 13.2 (12.0) | 7.8 (7.8) |
| Refinement | |||
| Resolution (Å) | 50.00–1.70 (1.75–1.70) | 50.00–2.91 (2.99–2.91) | |
| No. of reflections | 36033 (2407) | 33221 (2418) | |
| Rwork/Rfree (%) | 16.3/18.9 | 23.1/26.6 | |
| No. of atoms | |||
| Protein | 1434 | 6149 | |
| Ligand/ions | 49 | 10 | |
| Water | 226 | 89 | |
| B-factors (Å2) | |||
| Protein | 34.8 | 97.3 | |
| Ligand/ion | 49.2 | 90.3 | |
| Water | 52.7 | 70.4 | |
| rms deviations | |||
| Bond lengths (Å) | 0.007 | 0.009 | |
| Bond angles (°) | 1.007 | 1.200 | |
| Ramachandran plot (%)b | 89.8/10.2/0/0 | 88.6/11.1/0.3/0 | |
aThree crystal experiments for each structure.
bResidues in most favored, additional allowed, generously allowed, and disallowed regions of the Ramachandran plot.
Rsym= ΣhΣi|Ih,i−Ih|/ΣhΣlIh,i, where Ih is the mean intensity of the i observations of symmetry related reflections of h.