Table II.
Summary of Crystallographic Refinement Statistics
| WT1 (2jkz) | WT2 (2xbu) | Δ7 (2jky) | |
|---|---|---|---|
| Solvent content (%) | 74 | 45 | 47 |
| Resolutiona (Å) | 32.94–3.45 | 28.21–1.80 | 30.27–2.30 |
| 3.67–3.45 | 1.85–1.80 | 2.36–2.30 | |
| No. reflections | 25,547 (4006) | 39,543 (2734) | 19,335 (1405) |
| Rwork | 0.221 (0.347) | 0.167 (0.220) | 0.204 (0.263) |
| Rfree | 0.234 (0.350) | 0.206 (0.247) | 0.235 (0.305) |
| No. of chains | 4 | 2 | 2 |
| No. of atoms | |||
| Protein | 6508 | 3249 | 3300 |
| Water | none | 475 | 95 |
| Ligands | 116 | 57 | 59 |
| Occupancy-factors | |||
| SO4 | 1/1/1/1 | 0/0 | 0.5/0.5 |
| Mg | 0/0/0/0 | 0/1 | 1/0 |
| B-factors | |||
| Protein (Å2) | 116. | 25.6 | 63. |
| Water (Å2) | n.a. | 40.1 | 66. |
| R.M.S deviations | |||
| Bond lengths (Å) | 0.008 | 0.004 | 0.007 |
| Bond angles (°) | 1.30 | 0.91 | 1.05 |
| Ramachandran (%)b | 82.4/17.6/0.0 | 95.8/3.7/0.5 | 91.2/8.8/0.0 |
a
Highest resolution shell is shown in parenthesis.
b
% of residues in most favored regions/allowed regions/disfavored regions.