Table 1.
X-ray crystallographic data of PSII crystals from wild-type and Br- and I-PSII
| Data collection | Native PSII-1a | Br-PSII | Native PSII-2a | I-PSII |
|---|---|---|---|---|
| X-ray source | BL41XU | BL41XU | BL41XU | BL41XU |
| Wavelength | 0.9 Å | 0.9 Å | 1.0 Å | 1.0 Å |
| Resolution (Å)b | 50–4.0 | 50–3.7 | 50–4.0 | 50–4.0 |
| Unique reflections | 73143 | 87773 | 68269 | 74602 |
| Rmerge (%)b | 8.2 (71.0) | 7.2 (69.6) | 8.2 (54.2) | 9.1 (71.5) |
| I/σ(I) a | 21.7 (1.8) | 28.8 (2.2) | 22.8 (2.0) | 23.1 (2.2) |
| Completenessb | 94.7 (86.2) | 91.7 (82.6) | 91.7 (77.4) | 99.0 (99.3) |
| Space group | P212121 | P212121 | P212121 | P212121 |
| Unit cell dimensions (Å) | ||||
| a | 130.0 | 129.6 | 128.6 | 128.5 |
| b | 225.6 | 224.6 | 225.7 | 224.7 |
| c | 307.2 | 302.9 | 304.5 | 304.9 |
aNative PSII-1 is the crystal used to calculate the difference Fourier map between Cl− PSII and Br−-substituted PSII. Native PSII-2 is the crystal used to calculate the difference Fourier map between Cl− PSII and I−-substituted PSII.
bNumbers in parenthesis represent the highest-resolution shell.