TABLE 5.
Data collection and refinement statistics for Methylocystis sp. str. Rockwell pMMO
Values in parentheses refer to the highest resolution shell.
| As isolated (copper anomalous) | Copper soaked (copper anomalous) | Zinc soaked (zinc anomalous) | Zinc soaked (copper anomalous) | |
|---|---|---|---|---|
| Data collection | ||||
| Space group | P212121 | P212121 | P212121 | P212121 |
| Cell dimensions | ||||
| a, b, and c | 117.5, 118.5, 189.4 Å | 116.4, 184.7, and 188.6 Å | 120.9, 185.5, and 192.7 Å | 121.1, 185.7, and 193.2 Å |
| Resolution | 50–2.59 Å (2.62–2.59 Å) | 50–3.15 Å (3.2–3.15 Å) | 50–3.33 Å (3.39–3.33 Å) | 50–3.59 Å (3.65–3.59 Å) |
| Anisotropic truncation limit | 3.1, 2.6, 3.0 Å | 3.7, 3.1, 3.4 Å | 3.7, 3.3, 3.7 Å | 3.9, 3.6, 3.8 Å |
| Wavelength | 1.37765 Å | 1.37765 Å | 1.27816 Å | 1.37765 Å |
| Rsym or Rmerge | 0.145 | 0.174 (0.619) | 0.164 (0.394) | 0.166 (0.468) |
| Rmeas | 0.176 (1.16) | 0.153 (0.591) | 0.144 (0.481) | 0.152 (0.879) |
| CC1/2 | 0.998 (0.684) | 0.998 (0.840) | 0.999 (0.925) | 0.999 (0.841) |
| I/σI | 18.9 (2.9) | 21.5 (4.4) | 23.6 (8.9) | 23.7 (8.0) |
| Completeness | 72.6% (2.4%) | 77.8% (4.9%) | 80.4% (4.6%) | 87.7% (6.7%) |
| Redundancy | 14.4 (9.2) | 13.7 (11.5) | 14.9 (14.5) | 14.8 (14.0) |
| Refinement | ||||
| No. of reflections | 94,045 | 55,888 | 51,695 | |
| Rwork/Rfree | 0.237/0.289 | 0.221/0.280 | 0.224/0.281 | |
| Average B-factor | 42.2 Å2 | 57.5 Å2 | 54.7 Å2 | |
| Root mean square deviations | ||||
| Bond lengths | 0.0119 Å | 0.0125 Å | 0.0134 Å | |
| Bond angles | 1.666° | 1.6825° | 1.7454° | |
| Residues in favored region of Ramachandran plot | 89.3% | 84.6% | 82.6% | |
| Residues in allowed region of Ramachandran plot | 8.6% | 11.5% | 13.5% | |