Table 1. Data collection and refinement statistics for hTK1 and Uu-TK.
| Native hTK1 | hTK1 at Au peak | Native Uu-TK | SeMet-substituted Uu-TK | |
|---|---|---|---|---|
| Space group unit cell | C2 | C2 | P21 | P21 |
| a, Å | 157.7 | 156.6 | 63.8 | 64.0 |
| b, Å | 123.2 | 123.1 | 110.8 | 111.0 |
| c, Å | 116.0 | 115.4 | 73.0 | 73.1 |
| β, ° | 130.2 | 130.0 | 109.9 | 109.7 |
| Content of the asymmetric unit | 2 tetramers | 2 tetramers | 1 tetramer | 1 tetramer |
| Resolution, Å | 2.4 (2.53-2.4) | 3.5 (3.69-3.5) | 2.5 (2.54-2.5) | 3.0 (3.16-3.0) |
| Completeness, % | 99.0 (98.9) | 100 (100) | 99.7 (99.3) | 98.7 (98.7) |
| Rmeas, % | 10.8 (37.5) | 12.9 (19.9) | 13.5 (26.6) | 6.8 (18.4) |
| I/σI | 5.4 (2.1) | 4.4 (3.5) | 10.2 (2.8) | 10.0 (4.6) |
| Redundancy | 3.5 (3.5) | 6.8 (6.9) | 4.4 (4.0) | 9.8 (9.8) |
| No. of observed reflections | 224,588 | 145,327 | 146,317 | 186,680 |
| No. of unique reflections | 63,895 | 21,250 | 33,042 | 19,066 |
| European Synchrotron Radiation Facility beam line | ID14eh2 | ID14eh4 | ID14eh1 | BM14 |
| Wavelength, Å | 0.933 | 1.040 | 0.934 | 0.976 |
| Temperature, K | 100 | 100 | 100 | 100 |
| R, % | 20.1 | 22.2 | ||
| Rfree, % | 23.2 | 28.2 | ||
| rms deviation | ||||
| Bond length, Å | 0.009 | 0.011 | ||
| Bond angle, ° | 1.259 | 1.364 | ||
| Mean B value, Å2 | 34.7 | 46.2 |
Numbers in parentheses refer to the outer resolution bin.