Table 1 X-ray data collection and refinement statistics
From: Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors
SMAD4-GGCGC 5MEY | SMAD4-GGCT 5MEZ | T_SMAD4-GGCGC 5NM9 | |
|---|---|---|---|
Data collection | |||
Space group | C2221 | P212121 | P212121 |
Cell dimensions | |||
a, b, c (Å) | 64.17, 79.00, 90.10 | 64.79,79.06,114.16 | 37.15, 76.98, 145.04 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 50.00–2.05 (2.06–2.05) | 30.00–2.98 (2.99–2.98) | 30.00–2.43 (2.44–2.43) |
R meas | 6.7(118.3)* | 9.4 (91.5)* | 8.1(182.6)* |
I /σI | 17.72(1.59)* | 12.86 (1.68)* | 12.32(0.80)* |
Completeness (%) | 99.9 (100)* | 99.7 (100)* | 98.7(100)* |
Redundancy | 6.2 (6.0)* | 3.83 (4.06)* | 4.4 (4.8)* |
Refinement | |||
Resolution (Å) | 29.70–2.05 | 29.05–2.98 | 29.43–2.43 |
No. reflections | 14,709 | 12,239 | 16,190 |
R work/R free | 0.222/0.238 | 0.217/0.252 | 0.221/0.251 |
No. atoms | 1470 | 2534 | 2656 |
Protein | 979 | 1927 | 1897 |
DNA | 369 | 618 | 738 |
Zinc ions | 1 | 2 | 2 |
Calcium ions | 5 | 0 | 0 |
Water | 92 | 7 | 19 |
B-factors | |||
Protein | 48.35 | 75.36 | 73.32 |
DNA | 50.76 | 96.29 | 105.01 |
Zinc ions | 45.74 | 66.79 | 58.49 |
Calcium ions | 107.54 | 0 | 0 |
Water | 51.75 | 63.97 | 61.92 |
R.m.s. deviations | |||
Bond lengths (Å) | 0.009 | 0.010 | 0.010 |
Bond angles (°) | 1.00 | 1.05 | 1.02 |
SMAD3-GGCGC 5OD6 | SMAD3-GGCT 5ODG | SMAD4-GGCCG 5MF0 | |
Data collection | |||
Space group | I41 | I41 | P43 |
Cell dimensions | |||
a, b, c (Å) | 105.20,105.20, 73.24 | 104.99, 104.99, 72.49 | 101.52,101.52,45.78 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 30.00–2.00 (2.05–2.00) | 30.00–2.12 (2.13–2.12) | 30.00–3.03 |
R meas | 9.0 (111.9)* | 4.9 (66.30)* | 11.6(98.7)* |
I /σI | 7.51 (1.2)* | 14.84 (1.70)* | 12.06(1.76)* |
Completeness (%) | 99.5 (98.8)* | 99.7 (98.4)* | 99.8(98.8)* |
Redundancy | 2.90 (2.95)* | 3.77 (3.64)* | 4.9(5.1)* |
Refinement | |||
Resolution (Å) | 27.11–2.00 | 29.83–2.12 | 28.25–3.03 |
No. reflections | 26,771 | 22,057 | 9298 |
R work /R free | 0.195/0.235 | 0.200/0.243 | 0.231/0.270 |
No. atoms | 2863 | 2647 | 2608 |
Protein | 2034 | 2026 | 1940 |
DNA | 656 | 533 | 656 |
Zinc ions | 2 | 2 | 2 |
Calcium ions | 0 | 0 | 40 |
Water | 167 | 81 | 4 |
B-factors | |||
Protein | 55.01 | 62.2 | 62.52 |
DNA | 81.93 | 84.12 | 104.88 |
Zinc ions | 48.16 | 53.21 | 51.85 |
Calcium ions | 0 | 0 | 0 |
Water | 57.41 | 58.73 | 40.44 |
R.m.s. deviations | |||
Bond lengths (Å) | 0.01 | 0.01 | 0.008 |
Bond angles (°) | 1.00 | 1.06 | 0.97 |
