Table I. Structure determination of the GCM domain–DNA complexa.
| Dataset | Crystal form A | Crystal form A′ |
|||
|---|---|---|---|---|---|
| Nat-1 | Nat-41 | IU16 | IU25 | IU34 | |
| Processing statistics | |||||
| Resolution range (Å) | 30–2.85 | 40.0–2.9 | 40–3.05 | 40–3.15 | 40–2.82 |
| Wavelength (Å) | 0.931 | 0.933 | 0.933 | 0.933 | 0.933 |
| Completeness (%) | 97.9 (95.6) | 91.9 (78.4) | 90.8 (72.7) | 91.3 (78.8) | 91.3 (74.6) |
| Multiplicity | 2.9 (2.4) | 4.1 (3.6) | 3.4 (2.7) | 3.4 (2.9) | 3.4 (2.7) |
| Rmeas (%)b | 4.9 (28.2) | 5.6 (27.4) | 8.6 (25.4) | 7.5 (19.5) | 7.4 (29.4) |
| I/σ (I) > 3 | 79.2 (34.8) | 81.8 (49.7) | 79.2 (46.4) | 82.0 (55.8) | 79.9 (42.2) |
| Phasing statistics | |||||
| No. of iodine atoms | 3 | 2 | 3 | ||
| Isomorphous difference (%) | 19.4 | 15.1 | 21.7 | ||
| Phasing power | |||||
| Isomorphous | – | 1.61 | 1.81 | 1.44 | |
| Anomalous | 0.94 | 0.85 | 0.84 | 0.73 | |
| Refinement | |||||
| Resolution range (Å) | 20–2.85 | ||||
| Rwork (%)c | 21.8 (5714 reflections) | ||||
| Rfree (%)c | 28.3 (516 reflections) | ||||
| Total no. of non-hydrogen atoms | 1810 | ||||
| No. of protein atoms | 1277 | ||||
| No. of DNA atoms | 527 | ||||
| No. of water molecules | 4 | ||||
| No. of Zn ions | 2 | ||||
| R.m.s.ds | |||||
| Bond lengths (Å) | 0.008 | ||||
| Bond angles (degrees) | 1.31 | ||||
aNat-1 (crystal form A) was used for the final refinement, whereas dataset Nat-41 (crystal form A′) was used as native data for the MIRAS phasing. For Nat-41, the anomalous signal of the Zn ions was included in the heavy-atom parameter refinement. Values in the highest resolution shell are given in parentheses.
bRmeas = ΣhklΣi|Ii(hkl) – <I(hkl)>|/ΣhklΣiIi(hkl), where Ii is the ith measurement of reflection I(hkl).
cRfree was calculated using 8.1% of the data. No σ cut-off was applied to the data.