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. 2018 Oct 18;72(2):263–274.e5. doi: 10.1016/j.molcel.2018.08.028

Table 1.

Collection of Crystallographic Data and Refinement Statistics

Complex Eco RNAP – KglA Tth RNAP – KglA
PDB code 6CUX 6CUU

Data Collection

Space group P212121 C2
Cell dimensions
 a (Å) 188.167 185.221
 b (Å) 204.685 101.315
 c (Å) 311.577 294.279
 β (°) 90 98.886
Resolution (Å) 50.0–4.1 50.0–3.0
Total reflections 608,898 358,319
Unique reflections 93,684 107,473
Redundancy 6.5 (6.2) 3.3 (3.0)
Completeness (%)a 99.9 (100.0) 99.7 (97.1)
I / σa 16.2 (1.95) 10.2 (1.14)
Rsym (%)a 7.7 (85.1) 9.6 (61.4)
CC1/2a (0.633) (0.629)

Refinement

Resolution (Å) 45.03–4.1 46.3–3.0
Rwork 0.2100 0.2012
Rfree 0.2547 0.2483
No. of atoms 54,867 28,254
RMSDs
Bond length (Å) 0.013 0.006
Bond angles (°) 1.776 1.089
Clashscore 11.47 5.84
Ramachandran favored, % 91.57 97.64
Ramachandran outliers, % 0.94 0.35

RMSD, root-mean-square deviation.

a

Highest-resolution shells are shown in parentheses.