Table 1.
Data collection, phasing and refinement statistics
| SLX1–SLX4SAP+CCD SAD | SLX1–SLX4SAP+CCD Native | SLX1–SLX4CCD | SLX1–SLX4SAP+CCD-5'flap DNA | |
|---|---|---|---|---|
| Data collection | ||||
| Space group | P212121 | P212121 | P21212 | P6522 |
| Cell dimensions | ||||
| a, b, c (Å) | 61.01, 75.92, 186.83 | 61.28, 75.96, 186.97 | 70.30, 118.42, 62.00 | 123.22, 123.22, 233.58 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 120 |
| Resolution (Å) | 50.00–2.80(2.90–2.80) | 50.00–2.50(2.59–2.50) | 50.00–1.45(1.50–1.45) | 50.00–3.30(3.42–3.30) |
| R merge | 0.135(0.547) | 0.104(0.383) | 0.060(0.502) | 0.122(0.722) |
| I / σI | 25.2(6.5) | 15.7(3.9) | 26.8(3.3) | 20.1(3.7) |
| Completeness (%) | 100.0(100.0) | 99.3(98.3) | 99.8(100.0) | 99.8(100.0) |
| Total/Unique reflections | 312 930/22 224 | 174 439/31 535 | 517 405/92 349 | 180 712/16 540 |
| Redundancy | 14.1(14.1) | 5.5(5.6) | 5.6(5.6) | 10.9(11.1) |
| Refinement | ||||
| Resolution (Å) | 50.00–2.50(2.59–2.50) | 50.00–1.45(1.47–1.45) | 50.00–3.30(3.50–3.30) | |
| No. reflections | 30829 | 92234 | 16509 | |
| R work/Rfree | 0.201(0.264)/0.262(0.327) | 0.123(0.161)/0.157(0.225) | 0.235(0.311)/0.267(0.356) | |
| No. atoms | ||||
| Protein | 5945 | 3214 | 3352 | |
| DNA | 1119 | |||
| Ligand/ion | 16 | 17 | 2 | |
| Water | 125 | 698 | 12 | |
| B-factors (Å2) | ||||
| Protein | 54.2 | 21.0 | 91.8 | |
| DNA | 85.0 | |||
| Ligand/ion | 59.0 | 34.9 | 120.9 | |
| Water | 47.3 | 39.2 | 59.6 | |
| R.m.s deviations | ||||
| Bond lengths (Å) | 0.004 | 0.007 | 0.004 | |
| Bond angles (°) | 0.740 | 1.036 | 0.993 | |
| Ramachandran plot | ||||
| Favored | 687(98.1%) | 365(99.2%) | 389(97.7%) | |
| Allowed | 13(1.9%) | 3(0.8%) | 9(2.3%) | |
| Outlier | 0 | 0 | 0 | |
*One crystal was used for each structure. *Values in parentheses are for highest-resolution shell.