Table 1. Data collection and refinement statistics.
| Data collection | |
| λ, Å | |
| SeMet-1 | 0.97931 |
| SeMet-2 | 0.97931 |
| SeMet-3 | 0.97931 |
| Resolution, Å | |
| SeMet-1 | 3.1 |
| SeMet-2 | 3.0 |
| SeMet-3 | 3.0 |
| Reflections, total/unique | |
| SeMet-1 | 95,810/12,305 |
| SeMet-2 | 103,125/13,197 |
| SeMet-3 | 106,523/13,072 |
| Completeness, (%) | |
| SeMet-1 | 95.2 (98.2) |
| SeMet-2 | 98.5 (92.8) |
| SeMet-3 | 92.1 (92.1) |
| Rsym (%)* | |
| SeMet-1 | 7.8 (37.5) |
| SeMet-2 | 7 (32.4) |
| SeMet-3 | 6.8 (30.1) |
| I/σ (I) | |
| SeMet-1 | 20.9 (7.2) |
| SeMet-2 | 19.2 (2.7) |
| SeMet-3 | 21.4 (3.2) |
| Refinement | |
| Resolution, Å | 25–3.0 |
| |F|/σ (|F|) | >0 |
| No. reflections, working/test | 11,628/1,381 |
| Total no. of atoms | 1,370 |
| R/Rfree† | 26.36/28.83 |
| rms deviation | |
| Bonds, Å | 0.009 |
| Angles, ° | 1.38 |
| B values (main chain/side chain), Å2 | 1.3/2.1 |
Numbers in parentheses correspond to values in the highest resolution shell [3.21–3.10 (SeMet-1), 3.11–3.0 (Semet-2 and SeMet-3)].
*
Rsym = Σ|I - 〈I〉|ΣI, where I is observed intensity and 〈I〉 is the average intensity for symmetry-related functions
†
R = Σ|Fo - Fc |ΣFo, Rfree is calculated for test set reflections (10%) randomly excluded from refinement