Table 1.
Form 1 (free protein) | Form 2 (Mg2+-bound) | |
---|---|---|
Data collection | ||
Space group | P 21 21 21 | P 21 21 21 |
Cell dimensions | ||
a, b, c (Å) | 63.1, 66.9, 73.9 | 66.7, 67.0, 71.1 |
Resolution (Å) | 33.5–1.7 (1.8–1.7) | 48.8–1.8 (1.9–1.8) |
No. unique reflections | 36621 (5282) | 29210 (3894) |
Rp.i.m. | 0.026 (0.21) | 0.043 (0.242) |
Mean (I/σI) | 16.3 (3.3) | 8.1 (2.4) |
Completeness | 99.9 (99.8) | 94.5 (88.3) |
Multiplicity | 7.2 (7.0) | 3.3 (3.1) |
Refinement | ||
Resolution (Å) | 33.5–1.7 | 21.1–1.9 |
Rwork/Rfree (%) | 19.7/23.7 | 20.2/25.4 |
No. atoms – Protein | 2534 | 2538 |
– Solvent (Mg2+) | 309 (0) | 162 (3) |
R.m.s. deviations | ||
Bond lengths (Å) | 0.022 | 0.013 |
Bond angles (°) | 1.9 | 1.2 |
Values in parentheses correspond to the highest resolution shell in the analysis of the data.