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. Author manuscript; available in PMC: 2015 Sep 2.
Published in final edited form as: Structure. 2014 Sep 2;22(9):1363–1371. doi: 10.1016/j.str.2014.07.011

Table 3.

Crystallographic statistics of adenine riboswitch structures

PDB Accession Code 4TZX 4TZY
Data collection
Space group P21212 P21212
Cell dimensions
 a, b, c (Å) 49.6, 152.8, 25.0 49.3, 152.3, 25.0
αβγ (°) 90, 90, 90 90, 90, 90
Resolution (Å) 47.21–2.01 (2.13–2.01)* 41.4–2.57 (2.72–2.57)*
Rmerge (%) 6.5 (97.1) 7.7 (64.1)
<I>/<σ(I)> 21.1 (2.1) 15.3 (2.0)
Completeness (%) 99.6 (99.3) 99.8 (99.7)
Redundancy 5.7 (5.2) 3.8 (3.8)
Refinement
Resolution (Å) 47.21–2.01 (2.08–2.01)* 41.4–2.57 (2.66–2.57)*
No. reflections 13466 (1341) 6534 (625)
Rwork/Rfree (%) 22.4 (35.9) /25.7 (37.5) 20.4 (35.6) /25.1 (38.5)
No. atoms 1632 1542
 RNA 1502 1502
 Protein 0 0
 Ligand/ion 19 19
 Water 111 21
Mean B-factors (Å2) 45.8 52.6
 RNA 46.1 52.6
 Protein n/a n/a
 Ligand/ion 37.7 65.3
 Water 42.1 37.9
R.m.s. deviations
 Bond lengths (Å) 0.001 0.001
 Bond angles (°) 0.35 0.32
*

Highest resolution shell in parenthesis