Table 1.
X-ray refinement statistics
| Native | Chromopyrrolic acid-soaked | K252c-soaked | |
|---|---|---|---|
| Resolution, Å | 50–1.80 | 50–2.37 | 50–2.10 |
| Rwork/Rfree | 21.5/24.4 | 20.8/25.6 | 21.9/25.5 |
| Protein molecules per asu | 1 | 2 | 1 |
| No. of atoms | |||
| Protein | 3,898 | 7,961 | 3,909 |
| FAD | 53 | 106 | 53 |
| 7-carboxy-K252c | — | 54 | — |
| K252c | — | — | 24 |
| Chloride | 1 | — | 1 |
| Water | 426 | 354 | 181 |
| B factors, Å2 | |||
| Protein | 41.0 | 47.2 | 56.2 |
| FAD | 36.7 | 39.3 | 48.6 |
| 7-carboxy-K252 | — | 52.0 | — |
| K252c | — | — | 82.0 |
| Chloride | 56.0 | — | 75.8 |
| Water | 48.9 | 45.6 | 57.9 |
| rms deviations | |||
| Bond lengths, Å | 0.006 | 0.007 | 0.007 |
| Bond angles, ° | 1.28 | 1.31 | 1.26 |