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. Author manuscript; available in PMC: 2011 Jul 14.
Published in final edited form as: Structure. 2010 Jul 14;18(7):787–797. doi: 10.1016/j.str.2010.04.006

Table 1.

Crystallographic data and refinement statistics.

A94G, bound A94G, free
Data collection
Space group P43212 P43212
Cell dimensions a=b, c (Å); α=β=γ (°) 61.8, 157.6; 90 62.7, 159.2; 90
Wavelengh (Å) 1.5418 1.5418
Resolution (Å) 20 - 2.55 20 - 2.8
Rmerge (%)a 5.3 (34.3) 8.2 (36.1)
I/σ(I)a 16.4 (4.1) 14.4 (4.4)
Completenessa 99.3 (99.9) 100 (99.8)
Redundancya 5.0 (4.8) 7.2 (5.5)
Refinement
Resolution (Å) 20- 2.55 20- 2.9
No. reflections 18805 (1814) 13401 (1237)
Rwork/Rfree (%) 24.9/29.3 23.1/27.1
No. atoms
 RNA 2030 2030
 Ligand/ion 35 10
 Water 47 94
Mean B-factors (Å2)
 RNA 56.0 55.2
 Ligand/ion 58.2 87.8
 Water 35.9 45.2
r.m.s. deviations
 Bond lengths (Å) 0.005 0.005
 Bond angles (o) 1.14 1.22
Cross-validated Luzzati coordinate error 0.49 0.47
PDB accession code 3IQR 3IPQ
a

Statistics for highest resolution shell are shown in parenthesis.