TABLE 1.
Data collection and refinement statistics for Dgt crystals with and without DNA
| With DNA (4X9E) | Without DNA (4XDS) | |
|---|---|---|
| Data collectiona | ||
| Space group | P212121 | P43212 |
| Cell dimensions | ||
| a, b, c (Å) | 136.8, 159.8, 190.0 | 189.3, 189.3, 296.7 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 3.1 (3.21-3.1)b | 3.35 (3.47-3.35)b |
| Rsym (%)c | 11.0 (72.5) | 14.7 (69.9) |
| I/σI | 10.3 (3.3) | 8.1 (2.1) |
| Completeness (%) | 99.9 (99.9) | 98.6 (98.7) |
| Redundancy | 6.0 (6.1) | 6.2 (5.0) |
| Refinement | ||
| Resolution (Å) | 3.1 | 3.3 |
| No. reflections | 75,861 | 66,200 |
| Rwork/Rfree (%)c | 16.7/22.2 | 17.2/20.9 |
| Number of atoms | ||
| Protein | 24,358 | 24,119 |
| Ligand (DNA or Ni+2)d | 113 | 6 |
| Average B-factors | ||
| Protein | 108.3 | 95.49 |
| Ligand | 130.8 | 96.33 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.010 | 0.014 |
| Bond angles (°) | 1.17 | 1.24 |
a Each data set was obtained from a single crystal.
b Values in parentheses represent statistics from the highest resolution shell (10%).
c R-factor values according to standard equations.
d The crystal without DNA obtained from Dgt purified by protocol 2 (see “Experimental Procedures”) revealed Ni2+ density at the metal-binding site.