Extended Data Table 1 |.
X-Ray Data Collection and Structure Refinement Statistics
Apo CAPP | dGTP complex | Post-catalytic complex | Primer initiation complex | Primer initiation complex (alternate) | |
---|---|---|---|---|---|
Deposition ID (PDB) | 7NQD | 7NQE | 7NQF | 7P9J | 7QAZ |
Data Collection | |||||
Wavelength (Å) | 0.97624 | 0.97625 | 0.91589 | 0.97950 | 0.97950 |
Space group | P 65 | P 21 21 21 | P21212 | P 21 21 21 | P 21 21 21 |
Cell parameters | |||||
a, b, c (Å) | 97.4, 97.4, 109.0 | 40.0, 62.7, 82.5 | 77.0, 160.4, 39.8 | 227.8, 39.5, 75.0 | 227.9, 39.6, 79.8 |
α, β, γ (°) | 90, 90, 120 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution limits (Å) | 45.79 – 2.97 | 49.90 – 1.28 | 80.18 – 2.02 | 45.35 – 1.90 | 56.98 – 2.11 |
(high-resolution bin)* | (3.02 – 2.97) | (1.33 – 1.28) | (2.06 – 2.02) | (1.93 – 1.90) | (2.15 – 2.11) |
Completeness (%) | 100.00 (99.67) | 99.20 (90.64) | 99.8 (99.9) | 76.4 (78.2) | 94.4 (69.6) |
Multiplicity | 6.75 (6.88) | 5.90 (3.52) | 4.3 (4.4) | 2.5 (2.1) | 3.8 (1.9) |
CC-half | 0.9924 (0.3348) | 0.9987 (0.2840) | 0.995 (0.321) | 0.997 (0.282) | 0.992 (0.298) |
l/sigma | 8.55 (1.01) | 9.58 (1.00) | 5.6 (0.7) | 7.7 (0.5) | 6.5 (0.6) |
Rmerge | 0.2191 (1.7515) | 0.0805 (1.6421) | 0.159 (1.986) | 0.070 (1.373) | 0.151 (1.042) |
Refinement | |||||
Protein monomers per asymmetric unit | 2 | 1 | 2 | 3 | 3 |
Total nonhydrogen atoms | 3375 | 2198 | 4268 | 5813 | 6224 |
Water molecules | 0 | 191 | 141 | 154 | 395 |
Rcryst (%) | 21.60 | 16.29 | 21.21 | 22.75 | 20.97 |
Rfree (%) | 23.99 | 19.01 | 25.93 | 25.90 | 26.08 |
Ramachandran analysis (%) | |||||
Most favoured | 96.34 | 97.70 | 97.89 | 97.21 | 97.38 |
Outliers | 0.24 | 0 | 0 | 0.16 | 0 |
Rmsds | |||||
Bonds (Å) | 0.003 | 0.006 | 0.008 | 0.009 | 0.007 |
Angles (°) | 0.620 | 1.007 | 0.942 | 1.347 | 0.979 |
Planes (Å) | 0.004 | 0.007 | 0.008 | 0.008 | 0.007 |
Mean atomic b value (Å2) | 79.50 | 14.19 | 34.34 | 37.49 | 31.36 |
Values in parentheses are for the highest-resolution shell.