PMC full text:
Structure. Author manuscript; available in PMC 2016 Dec 1.
Published in final edited form as:
Structure. 2015 Dec 1; 23(12): 2191–2203.
Published online 2015 Nov 19. doi: 10.1016/j.str.2015.10.012Table 1
Data collection and refinement statistics
| BiP-T229A L3,4′ (native) | SBD-Tev-NR (native) | SBD-L3,4′-Tev-NR (Native) | SBD-L3,4′-Tev-NR (Se-SAD) | |
|---|---|---|---|---|
| Data collection | ||||
| Space group | P3221 | C2221 | C2221 | C2221 |
| Cell dimensions | ||||
| a, b, c (Å) | 222.468, 222.468, 209.460 | 36.378, 91.661, 141.797 | 34.536, 82.593, 150.776 | 34.553, 82.661, 150.840 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Wavelength | 0.979 | 0.979 | 0.979 | 0.979 |
| Resolution (Å) | 50–3.00 (3.05–3.00) | 50–2.57 (2.61–2.57) | 50–2.68 (2.73–2.68) | 50–2.69 (2.74–2.69) |
| Rsym or Rmerge | 0.118 (0.402) | 0.044 (0.120) | 0.041 (0.092) | 0.036 (0.097) |
| I/σI | 25.4 (4.1) | 56.6 (16.2) | 38.6 (9.6) | 70.1 (23.0) |
| Completeness (%) | 97.8 (98.6) | 99.8 (98.0) | 99.8 (95.8) | 100 (100) |
| Redundancy | 7.3 (7.3) | 6.6 (4.2) | 4.6 (3.0) | 8.6 (6.2) |
| Refinement | ||||
| Resolution (Å) | 40.76–2.99 | 38.49–2.57 | 41.30–2.68 | |
| No. reflections | 111753 | 7908 | 6391 | |
| Rwork/Rfree | 24.3%/28.7% | 21.9%/26.4% | 21.60%/25.55% | |
| No. atoms | 28436 | 1891 | 1803 | |
| Protein | 28147 | 1838 | 1787 | |
| ATP/Zn/Mg | 186/24/17 | - | - | |
| Water | 32 | 48 | 16 | |
| B-factors | 76.68 | 30.56 | 56.25 | |
| Protein | 76.98 | 30.67 | 56.41 | |
| ATP/Zn/Mg | 49.61/79.98/55.03 | - | - | |
| Water | 48.51 | 26.34 | 38.46 | |
| R.m.s. deviations | ||||
| Bond lengths (Å) | 0.011 | 0.003 | 0.003 | |
| Bond angles (°) | 1.495 | 0.746 | 0.709 | |
*One crystal was used for each structure or dataset.
*Values in parentheses are for the highest-resolution shell.