Table 1.
Summary of crystallographic data
| MeHgCl* | Se-Met† | Native | |
|---|---|---|---|
| Wavelength (Å) | 1.5418 | 0.9793 | 1.0000 |
| Resolution (Å) | 20.0–3.5 | 20.0–3.5 | 20.0–2.3 |
| Last shell (Å) | 3.66–3.5 | 3.66–3.5 | 2.38–2.3 |
| Avg. redundancy | 6.55 | 6.67 | 3.90 |
| Rsym‡ (last shell) (%) | 11.0 (21.3) | 17.4 (29.1) | 4.2 (15.6) |
| I/sigma I (last shell) | 16.7 (7.7) | 11.6 (7.6) | 23.9 (7.8) |
| Completeness (%) | 99.1 | 98.0 | 99.0 |
| Phasing power§ (acent./cent.) | 2.34/1.61 | 0.76/0.68 | |
| RCullis¶ (acent./cent.) | 0.69/0.68 | 0.89/0.86 | |
| RCullis (anomalous) | 0.79 | 0.91 |
*
Methyl mercury chloride derivative (6 sites).
†
Selenomethionine-substituted protein (20 sites).
‡
Rsym = ∑∑j|Ij − 〈I〉|/∑Ij.
§
Phasing power = 〈Fh〉/E, where 〈Fh〉 is the rms heavy atom structure factor and E is the residual lack of closure error.
¶
Rcullis = ∑∥FPH ± FP| − FH|/∑|FPH ± FP|, where FP and FPH are the structure amplitudes of the parent and the heavy-atom derivative and FH is the calculated heavy-atom structure factor.