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. 2010 Sep 17;5(9):e12836. doi: 10.1371/journal.pone.0012836

Table 2. Refinement statistics.

Parameters 5′-capped RNA
Resolution range (Å) 49.7 – 2.9 (3.0 – 2.9)
Rfactor #,∧ (%) 20.5 (32.8)
Rfree * ∧, (%) 23.1 (34.4)
No of non-H atoms/chain A B C D
Protein 2075 2056 2060 2060
SAH 26 26 26 26
5′-capped RNA 204 204
Glycerol 12
Water 463
Mean B-factor+2)
Protein 20.1 (47.9) 20.0 (47.8) 20.0 (48.3) 20.0 (48.3)
SAH 59.8 (53.5) 56.8 (50.9) 54.7 (53.0) 55.0 (53.5)
5′-capped RNA 7.9 (87.1) 22.8 (87.0)
Glycerol 85.1 (78.0)
Water 26.7 (56.9)
Rms deviations
Bond lengths (Å) 0.0062
Bond angles (°) 1.21
Ramanchandran plot
Most favoured (%) 92.8
Allowed regions (%) 6.7
Disallowed regions (%) 0.5
Overall G factor$ 0.15
#

Rfactor = Σ ||Fobs| - |Fcalc||/Σ | Fobs|.

*Rfree was calculated with 5% of reflections excluded from the whole refinement procedure.

$

G factor is an overall measure of structure quality from PROCHECK [41]. The numbers in parentheses refers to the last (highest) resolution shell.

Bound (“B”) monomers and free (“F”) monomers were tightly restrained as two separate groups.

+

Mean B-factors are shown after TLS refinement. Mean B-factors without TLS refinement are given in parenthesis for comparison.