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. Author manuscript; available in PMC: 2023 May 4.
Published in final edited form as: Nature. 2022 May 4;605(7911):767–773. doi: 10.1038/s41586-022-04695-0

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.