Table 1. Data collection and refinement statistics.
| HOXB13-DNATCG | HOXB13-DNACAA | CDX2-DNATCG | CDX2-DNACAA | |
|---|---|---|---|---|
| Data collection | ||||
| Wavelength (Å) | 0.9724 | 0.9724 | 0.9724 | 0.9724 |
| Resolution range (Å) | 46.29–3.2 (3.31–3.2) | 45.95–2.19 (2.27–2.19) | 43.23–2.57 (2.66–2.57) | 55.96–2.95 (3.13–2.95) |
| Space group | P 2 2 21 | P 1 2 1 | C 1 2 1 | I 1 2 1 |
| Unit cell (Å, °) | 52.62 52.52 389.33; 90 90 90 | 77.35 57.92 101.28; 90 101.57 90 | 127.95 46.49 68.89; 90 113.27 90 | 70.25 46.69 128.63; 90 101.40 90 |
| Total reflections | 86877 (3476) | 241614 (21747) | 19575 (1958) | 27018 (4003) |
| Unique reflections | 17526 (1361) | 44125 (3912) | 12095 (1197) | 8802 (1264) |
| Multiplicity | 4.2 (3.3) | 5.5 (5.6) | 1.6 (1.6) | 3.2 (3.2) |
| Completeness (%) | 93.0 (90.4) | 97.42 (87.37) | 99.5 (100) | 96.6 (90.5) |
| Mean I/sigma(I) | 7.91 (0.10) | 8.11 (1.10) | 8.47 (2.77) | 7.5 (1.1) |
| R-merge | 0.085 (4.59) | 0.12 (1.21) | 0.13 (5.49) | 0.071 (7.24) |
| R-meas | 0.09 | 0.13 | 0.08 | 0.09 |
| CC1/2 | 0.99 (0.72) | 0.99 (0.71) | 0.99 (0.80) | 0.99 (0.61) |
| Refinement | ||||
| R-work | 0.21 | 0.25 (0.37) | 0.22 | 0.19 |
| R-free | 0.28 | 0.29 (0.35) | 0.29 | 0.25 |
| Number of non-hydrogen atoms | 5197 | 5591 | 2841 | 2783 |
| macromolecule | 5172 | 5072 | 2748 | 2717 |
| water | 8 | 519 | 93 | 66 |
| Protein residues | 242 | 274 | 144 | 141 |
| RMS (bonds) | 0.025 | 0.011 | 0.018 | 0.012 |
| RMS (angles) | 2.03 | 1.26 | 2.11 | 1.83 |
| Ramachandran favored (%) | 93 | 97 | 97.8 | 99.3 |
| Ramachandran outliers (%) | 1.7 | 0.41 | 1.43 | 0.73 |
| Clashscore | 10.51 | 5.31 | 4.42 | 6.43 |
| Average B-factor | 124.40 | 41.70 | 30.54 | 74.75 |
| macromolecule | 124.70 | 42.10 | 29.30 | 74.41 |
Statistics for the highest-resolution shell are shown in parentheses.