Table 1. Data collection, refinement and model quality statistics for Sgo0707.
| Native Sgo0707 | SeMet Sgo0707 | |
| Data collection | ||
| Space group | I222 | I222 |
| Cell dimensionsa, b, c (Å) | 152.13, 158.12, 164.26 | 152.12, 157.40, 165.26 |
| Wavelength (Å) | 0.979300 | 0.979300 |
| Resolution (Å) | 48.45–2.09 | 48.47–2.39 |
| Highest resolutionshell (Å) | 2.20–2.09 | 2.52–2.39 |
| Total reflectionsa | 674,645 (57,281) | 885,346 (76,170) |
| Unique reflectionsa | 114,899 (15,141) | 77,177 (10,121) |
| I/σ (I)a | 13.9 (3.9) | 22.8 (5.6) |
| Rsym(%)a, b | 8.0 (32.4) | 8.6 (34.7) |
| Completeness (%)a | 98.4 (89.8) | 98.5 (89.8) |
| Overall redundancy | 5.9 (3.8) | 11.5 (7.5) |
| Refinement | ||
| No. of reflections | 112615 | |
| Rwork/Rfree (%)c | 17.9/22.5 | |
| Average B-factors (Å2) | ||
| Wilson plot | 29.6 | |
| Protein (Chain A/B/C/D) | 27.6/28.6/30.0/31.6 | |
| Water | 35.8 | |
| Metal ions | 37.9 | |
| Sulfate ions | 48.5 | |
| No. protein atoms | 13424 | |
| No. metal ions | 4 | |
| No. sulfate ions | 8 | |
| No. water molecules | 1282 | |
| RMSD from ideal | ||
| Bond lengths (Å) | 0.007 | |
| Bond angles (°) | 1.103 | |
| Ramachandran plot | ||
| Preferred, allowed,outliers (%) | 93.88/5.36/0.77 |
a
Values in parentheses indicate statistics for the highest resolution shell.
b
R sym = Σhkl Σi |I i (hkl) - <I(hkl)>|/Σhkl Σi I i (hkl), where Ii(hkl) is the intensity of the ith observation of reflection hkl and <I(hkl)> is the average over of all observations of reflection hkl. c R work = Σ | |F obs| - | F calc| |/Σ | F obs|, where F obs and F calc are the observed and calculated structure factor amplitudes, respectively. R free is R work calculated using 5% of the data, randomly omitted from refinement.