Table 1. Crystallographic data collection and refinement statistics.
| Smad5-MH1/SBE | Smad5-MH1/GC-BRE | Smad5-MH1/GCRj2 | |
|---|---|---|---|
| Old PDB ID code | 4ZKG | 4ZL2 | 4ZL3 |
| New PDB ID code | 5 × 6G | 5 × 6H | 5 × 6M |
| Data Collectiona | |||
| Space group | P212121 | P6422 | P31 |
| Cell dimensions | |||
| a, b, c (Å) | 71.54, 74.50, 83.74 | 92.87, 92.87, 83.71 | 119.46,119.46, 93.07 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 50.00-3.05 | 50.00-3.10 | 40.00-3.20 |
| (3.10-3.05)b | (3.21-3.10) | (3.31-3.20) | |
| R merge (%) | 7.7 (44.4) | 6.2 (44.9) | 9.5 (55.6) |
| I/σ (I) | 16.1 (4.7) | 25.0 (4.28) | 22.1 (4.5) |
| Completeness (%) | 89.9 (100.0) | 97.4 (100.0) | 98.8 (100.0) |
| Redundancy | 6.5 (7.2) | 7.2 (7.5) | 5.5 (5.7) |
| Refinement | |||
| Resolution (Å) | 34.04-3.05 | 46.43-3.10 | 29.94-3.20 |
| No. of reflections | 7870 | 4079 | 24146 |
| R work/Rfreec (%) | 22.3/25.6 | 20.2/23.1 | 21.1/25.3 |
| No. Atoms | |||
| Protein/DNA | 2571 | 1136 | 5379 |
| Zinc | 2 | 1 | 4 |
| Average B-factors | 90.2 | 96.1 | 125.1 |
| R.m.s deviations | |||
| Bond lengths (Å) | 0.010 | 0.011 | 0.011 |
| Bond Angles (°) | 1.21 | 1.23 | 1.23 |
| Ramachandran analysis (%) | |||
| Favored | 98.8 | 97.3 | 96.4 |
| Additionally allowed | 1.2 | 2.7 | 3.6 |
| Disallowed | 0 | 0 | 0 |
a
All data sets were collected from a single crystal.
b
Values in parentheses are for the highest resolution shell.
c
R free was calculated on a random 5.0% reflections of the data.