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. Author manuscript; available in PMC: 2015 Jan 17.
Published in final edited form as: Nature. 2014 Jun 8;511(7509):366–369. doi: 10.1038/nature13378

Extended Data Table 1.

Crystallographic data collection, phasing and refinement statistics. One crystal was used.

Iridium (III) hexammine
Data collection
Space group I 222
Cell dimensions
a, b, c (Å) 55.3, 101.6, 111.6
α, β, γ (°) 90, 90, 90
Resolution (Å) 28.87-1.99 (2.06-1.99)*
Rsym or Rmerge 5.4 (82.3)
Rmeas# 5.8 (89.5)
I|σ| 21.71 (2.19)
CC(1/2)## 99.9 (83.3)
Completeness (%) 99.4 (94.7)
Redundancy 7.5 (6.5)
Refinement
Resolution (Å) 28.9-1.99
No. reflections 308254 (18783)
Rwork/Rfree 20.3 (30.2) / 24.1 (33.9)
No. atoms 2038
 RNA 1785
 Ligand/ion 107
 Water 146
B-factors 43.9
 Protein 43.6
 Ligand/ion 56.0
 Water 37.5
R.m.s deviations
 Bond lengths (Å) 0.019
 Bond angles (°) 2.43
*

Highest resolution shell is shown in parentheses.

#

Rmeas is Rmeas as reported by XDS33,34.

##

CC(1/2) is the percentage of correlation between intensities from random half-datasets as defined by Karplus and Diederichs45.

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