Table 1. Experimental data.
| Saltsa | Max. Res. | Unit cell (Å) | Rsymb (%) | Completenessb (%) | Redund. | I/σb | f” (ē) | X-rayc |
|---|---|---|---|---|---|---|---|---|
| Subtype-A DIS duplex (Space group P3121) | ||||||||
| Native (PDB id: 462D) | 2.1 Å | a = b = 59.02, c = 63.98 | 6.0 (21.3) | 99.9 (99.1) | 9.2 | 31.8 (6.8) | – | ID14-1 |
| MnCl2 100 mM (MgCl2 0 mM) | 3.1 Å | a = b = 59.07, c = 63.64 | 4.2 (10.4) | 91.5 (82.1) | 1.5 | 15.7 (7.00) | 2.8 | Rot. anode |
| CoCl2 100 mM (MgCl2 0 mM) | 2.9 Å | a = b = 59.17, c = 64.00 | 6.6 (13.9) | 99.1 (94.1) | 3.9 | 20.4 (8.6) | 3.6 | Rot. anode |
| SrCl2 100 mM (MgCl2 0 mM) | 2.8 Å | a = b = 57.88, c = 65.80 | 5.4 (20.4) | 99.3 (98.2) | 6.5 | 33.7 (8.9) | 1.8 | Rot. anode |
| ZnCl2 100 mM (MgCl2 0 mM), 1 month | 1.9 Å | a = b = 59.35, c = 63.71 | 4.0 (19.5) | 95.2 (69.3) | 3.0 | 26.6 (2.8) | 3.9 | BW7A |
| CaCl2 100 mMd (MgCl2 0 mM) | 2.7 Å | a = b = 57.91, c = 65.165 | 4.9 (29.3) | 99.6 (99.7) | 7.4 | 24.1 (5.7) | 1.3 | DW32 |
| CdCl2 15 mM (MgCl2 5 mM) | 2.9 Å | a = b = 58.98, c = 64.99 | 4.4 (22.0) | 99.1 (98.2) | 4.0 | 22.3 (6.1) | 4.6 | Rot. anode |
| BaCl2 50 mM (MgCl2 0 mM) | 2.8 Å | a = b = 58.01, c = 65.42 | 7.9 (28.6) | 98.6 (99.0) | 4.9 | 20.8 (5.1) | 8.4 | Rot. anode |
| PtCl4 1 mM (MgCl2 5 mM), 3–5 h | 2.9 Å | a = b = 58.91, c = 65.19 | 4.3 (15.9) | 99.9 (99.9) | 4.6 | 23.8 (8.8) | 6.9 | Rot. anode |
| Pb acetated,e (MgCl2 100 mM), 12 h | 2.8 Å | a = b = 59.20, c = 65.80 | 4.5 (29.9) | 96.3 (94.5) | na | 12.6 (3.2) | 8.5 | Rot. anode |
| [Ru (NH3)6]Cl3 12 mM (MgCl2 100 mM), 2–3 days | 2.6 Å | a = b = 59.11, c = 64.15 | 3.7 (9.8) | 98.5 (93.1) | 4.4 | 40.3 (15.1) | 3.3 | Rot. anode |
| [Co (NH3)6]Cl3e (MgCl2 0 mM) | 2.5 Å | a = b = 58.80, c = 65.10 | 6.1 (36.6) | 97.8 (96.4) | 6.2 | 30.4 (4.6) | 4.6 | Rot. anode |
| Subtype-B DIS duplex (Space group P21212) | ||||||||
| Native (PDB id: 1M28) | 1.6 Å | a = 43.98, b = 47.53, c = 57.66 | 6.3 (24.0) | 99.5 (99.0) | 9.2 | 23.8 (10.0) | – | ID14-2 |
| MnCl2 100 mM (MgCl2 0 mM) | 2.6 Å | a = 42.54, b = 47.83, c = 58.68 | 6.0 (8.3) | 98.4 (92.7) | 3.3 | 21.1 (12.0) | 2.4 | BM30 |
| CoCl2 100 mM (MgCl2 0 mM) | 2.5 Å | a = 43.70, b = 47.55, c = 57.77 | 6.6 (23.2) | 96.1 (96.0) | 2.7 | 12.0 (3.7) | 3.6 | Rot. anode |
| ZnCl2 100 mM (MgCl2 0 mM), 1 month | 1.9 Å | a = 43.79, b = 47.63, c = 58.00 | 6.8 (8.5) | 87.0 (41.9) | 4.8 | 19.7 (10.1) | 7.4 | BM30 |
| BaCl2 100 mM (MgCl2 0 mM) | 2.6 Å | a = 43.45, b = 47.45, c = 57.93 | 6.5 (13.2) | 99.2 (94.5) | 5.6 | 27.5 (12.4) | 3.9 | Rot. anode |
| [Ru (NH3)6]Cl3 12 mM (MgCl2 100 mM), 2–3 days | 2.0 Å | a = 43.77, b = 47.87, c = 57.26 | 3.9 (11.2) | 99.1 (99.3) | 6.1 | 41.8 (11.2) | 1.3 | BM30 |
| AuCl3 10 mM (MgCl2 100 mM) | 2.3 Å | a = 43.56, b = 47.46, c = 57.96 | 4.3 (10.1) | 99.7 (99.9) | 6.8 | 43.1 (10.8) | 10.5 | BM30 |
| PtCl4 1 mM (MgCl2 5 mM), 3–5 h | 2.5 Å | a = 44.08, b = 47.59, c = 57.63 | 4.1 (12.8) | 68.9 (71.9) | 3.5 | 24.7 (5.1) | 10.9 | BM30 |
aUnless specifically indicated in this column, soaking time was comprised between 2 days and 1 week. PDB id codes for subtype-A duplex with Zn2+ (1NLC), with ruthenium hexammine (1NLE); for subtype-B duplex with Mn2+ (1M29).
bThe values in parentheses correspond to the higher-resolution shell.
cDifferent beam lines used: ID14-1,2 and BM30 (ESRF, Grenoble), BW7A (DESY, Hamburg), DW32 (LURE, Orsay).
dData were processed by averaging the intensities of Bijvoet pairs.
eSalt concentration in crystallization drops was saturating.