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. Author manuscript; available in PMC: 2018 May 17.
Published in final edited form as: Mol Cell. 2017 Aug 3;67(4):633–645.e3. doi: 10.1016/j.molcel.2017.06.035

Table 1.

Data collection and refinement statistics.

TTTA TCTA TCCA CCCA
Data collection
Beamline SLS SPring-8 SPring-8 SLS
PXI BL41XU BL41XU PXI
Wavelength (Å) 1.0000 1.0000 1.0000 1.0000
Space group P41212 P41212 P41212 P212121
Cell dimensions
a, b, c (Å) 103.2, 103.2, 363.9 102.5, 102.5, 373.9 102.0, 102.0, 372.5 102.0, 103.5, 342.7
α, β, γ (°) 90, 90, 90 90, 90, 90 90, 90, 90 90, 90, 90
Resolution (Å)* 49.6–2.5
(2.56–2.50)		 49.4–2.4
(2.45–2.40)		 49.2–2.5
(2.56–2.50)		 49.9–2.4
(2.44–2.40)
Rpim 0.033 (0.436) 0.014 (0.339) 0.024 (0.518) 0.043 (0.162)
I/σI 12.7 (1.6) 25.0 (2.1) 15.6 (1.6) 9.2 (2.8)
Completeness (%) 99.9 (100) 96.3 (97.8) 99.8 (100) 97.3 (82.8)
Multiplicity 12.6 (12.7) 8.9 (7.0) 8.6 (9.0) 4.0 (3.4)
CC(1/2) 0.997 (0.677) 0.999 (0.700) 0.998 (0.543) 0.993 (0.889)
Refinement
Resolution (Å) 49.7–2.5
(2.53–2.50)		 49.4–2.4
(2.43–2.40)		 49.2–2.5
(2.53–2.50)		 49.9–2.4
(2.43–2.40)
No. reflections 69,046
(2,583)		 75,435
(2,649)		 69,014
(2,617)		 138,080
(3,632)
Rwork/Rfree 0.178/0.228
(0.289/0.394)		 0.193/0.238
(0.307/0.383)		 0.193/0.244
(0.340/0.383)		 0.178/0.230
(0.215/0.277)
No. atoms
 Protein 9,776 9,794 9,749 19,707
 Nucleic acid 1,618 1,618 1,618 3,236
 Ion 5 2 2 5
 Solvent 143 53 27 471
B-factors (Å2)
 Protein 83.4 81.6 88.8 60.4
 Nucleic acid 71.3 76.4 83.5 52.0
 Ion 75.7 77.9 79.2 37.2
 Solvent 66.8 60.1 68.8 46.2
R.m.s. deviations
 Bond lengths (Å) 0.007 0.007 0.007 0.007
 Bond angles (°) 0.913 0.904 0.924 0.893
Ramachandran plot (%)
 Favored region 96.83 95.62 95.94 96.60
 Allowed region 3.01 3.96 3.89 3.15
 Outlier region 0.17 0.41 0.17 0.25
*

Values in parentheses are for the highest resolution shell.