Table 1. Data collection and structure refinement statistics of M1.HpyAVI.
| M1.HpyAVI | M1.HpyAVI-AdoMet complex | |
|---|---|---|
| Data collection | ||
| Wavelength (Å) | 1.0000 | 0.97772 |
| Space group | P43212 | P65 |
| Unit-cell parameters (Å, ˚) |
a = b = 69.73, c = 532.75 α = β = γ = 90 |
a = b = 135.60, c = 265.15 α = β = 90, γ = 120 |
| Resolution range (Å) a | 49.09-3.00 (3.09-3.00) | 48.91-3.10 (3.18-3.10) |
| Unique reflections a | 27243 | 49833 |
| Multiplicity a | 3.7 (3.8) | 5.6 (4.0) |
| Completeness (%)a | 98.7 (98.9) | 99.7 (97.8) |
| Mean I/δ (I) a | 12.1 (3.4) | 14.0 (1.9) |
| Solvent content (%) | 58.67 | 61.96 |
| Rmerge a | 0.073 (0.378) | 0.106 (0.769) |
| Structure refinement | ||
| Rwork | 0.251 | 0.221 |
| Rfree | 0.308 | 0.276 |
| R.m.s.d., bond lengths (Å) | 0.007 | 0.007 |
| R.m.s.d., bond angles (˚) | 1.408 | 1.651 |
| Ramachandran plot | ||
| Favoured region (%) | 89.44 | 91.44 |
| Allowed region (%) | 9.58 | 7.11 |
| Outliers (%) | 0.99 | 1.45 |
a
Values in parentheses are statistics of the highest resolution shell.