TABLE 1.
X-ray data collection and refinement statistics
These statistics are for wild type ΔC800 MutS in complex with a 16-bp duplex DNA containing an AA mismatch and ΔC800 D693N MutS in complex with a 30-bp duplex containing a GT mismatch. Numbers within parentheses refer to the highest resolution shell. r.m.s.d., root mean square deviation.
| Statistics | Wild type MutS, 16 AA | D693N MutS, 30 GT |
|---|---|---|
| Crystallographic | ||
| Resolution range (Å) | 50.0–3.4 (3.5–3.4) | 50.0–2.2 (2.3–2.2) |
| Completeness (%) | 99.8 (99.8) | 96.4 (95. 6) |
| I/sig (I) | 13.6 (4.3) | 11.0 (2.9) |
| Rmerge (%) | 14.7 (46.7) | 8.6 (44.0) |
| Space group | P212121 | P212121 |
| Cell parameters (Å) | a = 91.10 | a = 89.60 |
| b = 137.90 | b = 90.79 | |
| c = 161.44 | c = 260.19 | |
| Total no. of observations | 205,712 (29,422) | 460,869 (66,417) |
| Total unique reflections | 28,641 (4,101) | 104,793 (15,010) |
| Multiplicity | 7.2 (7.2) | 4.4 (4.4) |
| Wilson B-factor | 72.072 | 36.638 |
| Refinement | ||
| No. of atoms (protein + DNA + ligands) | 12,753 | 13,671 |
| R (%) | 20.3 | 18.5 |
| Rfree (%) | 26.3 | 24.6 |
| r.m.s.d. bonds (Å) | 0.008 | 0.007 |
| r.m.s.d. angles (Å) | 1.111 | 1.089 |