Table 3 Crystallographic parameters and refinement statistics.
RT3MB:DNA | RT4M:DNA | RT4M:DNA | RT4M:DNA | |
|---|---|---|---|---|
Bound NA/dNTP | E-CFCP-TP | E-CFCP-TP | ETV-TP | dGTP |
PDB code | 8XZ1 | 8X20 | 8X21 | 8X22 |
Data collection | ||||
Beamline | PF BL-17A | PF BL-1A | PF BL-1A | PF BL-1A |
Detector | Pilatus3S 6M | Eiger X4M | Eiger X4M | Eiger X4M |
Wavelength (Å) | 0.98000 | 1.10000 | 1.10000 | 1.10000 |
Space group | H3 | H3 | H3 | H3 |
Unit-cell parameters (Å) | a = b = 283.1, c = 95.4 | a = b = 284.1, c = 95.6 | a = b = 284.4, c = 95.7 | a = b = 285.2, c = 96.1 |
Resolution (Å)* | 50–2.62 (2.67–2.62) | 50–2.70 (2.75–2.70) | 50–2.33 (2.37–2.33) | 50–2.31 (2.35–2.31) |
Unique reflections | 85,655 | 78,960 | 123,410 | 127,828 |
Rmeas*,† | 0.074 (0.896) | 0.105 (0.878) | 0.157 (0.875) | 0.075 (0.926) |
Mean I/σ (I)* | 16.8 (2.1) | 10.8 (1.7) | 7.4 (2.1) | 15.0 (2.1) |
Completeness (%)* | 99.9 (100.0) | 100.0 (100.0) | 100.0 (100.0) | 100.0 (100.0) |
Multiplicity* | 5.1 (5.2) | 5.5 (5.5) | 5.5 (5.6) | 5.5 (5.6) |
Wilson B-factor (Å2) | 61.2 | 63.3 | 49.3 | 48.0 |
Refinement | ||||
Rwork/Rfree‡,§ | 0.179/0.223 | 0.173/0.231 | 0.176/0.218 | 0.182/0.219 |
No. of atoms | 17,553 | 17,537 | 17,751 | 17,744 |
Average B-factors (Å2) | ||||
All/DNA | 75.0/71.9 | 74.0/70.5 | 64.0/62.6 | 65.0/63.1 |
Ligand | 103.4 (E-CFCP-TP) | 111.2 (E-CFCP-TP) | 72.2 (ETV-TP) | 57.9 (dGTP) |
R.m.s.d. from ideal | ||||
Bond lengths (Å) | 0.007 | 0.004 | 0.012 | 0.008 |
Bond angles (°) | 0.813 | 0.805 | 1.188 | 0.934 |
Ramachandran plot¶ | ||||
Favored | 95.8 | 95.9 | 96.2 | 96.7 |
Outliers (%) | 0.3 | 0.0 | 0.0 | 0.0 |