Table 1.
Parameters | σS-TIC1 | σS-TIC2 1-h soaking with CTP only | σS-TIC3 1-h soaking with CTP, UTP, and GTP |
Data collection | |||
Space group | P212121 | P212121 | P212121 |
Cell dimensions, Å | |||
a | 131.71 | 132.75 | 132.87 |
b | 152.67 | 151.97 | 152.17 |
c | 226.70 | 228.06 | 229.12 |
Resolution, Å | 100–3.60 (3.66–3.60) | 100–4.20 (4.27–4.20) | 100–4.60 (4.68–4.60) |
Rsym, % | 12.5 (>100) | 10.2 (>100) | 8.5 (>100) |
I/σI* | 9.87 (0.37) | 8.44 (0.46) | 10.06 (0.55) |
Completeness, % | 99.6 (99.4) | 99.9 (100) | 99.3 (99.6) |
Redundancy | 5.1 (4.2) | 7.7 (7.9) | 6.9 (6.8) |
Refinement | |||
Resolution, Å | 100–3.60 | 100–4.20 | 100–4.60 |
No. reflections | 50,952 | 32,692 | 24,772 |
Rwork/Rfree, % | 24.7/28.7 | 26.7/32.7 | 24.0/33.4 |
No. atoms | 27,632 | 29,036 | 29,036 |
Protein | 26,167 | 27,572 | 27,572 |
DNA/RNA/ions | 1,465 | 1,464 | 1,464 |
B factors | 129.5 | 177.4 | 183.1 |
Rmsd | |||
Bond length, Å | 0.011 | 0.011 | 0.008 |
Bond angle, ° | 1.448 | 1.422 | 1.179 |
Values in parentheses are for highest-resolution shell. Each dataset was collected from a single crystal.
I/σI = 2.0 at 4.2 Å (σS-TIC1), 5.6 Å (σS-TIC2), 6.2 Å (σS-TIC3); I/σI = 1.0 at 3.9 Å (σS-TIC1), 4.7 Å (σS-TIC2), 5.2 Å (σS-TIC3).