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. 2013 May 24;69(Pt 6):634–639. doi: 10.1107/S1744309113013018

Table 1. Crystal data and data-collection and structure-refinement statistics.

Values in parentheses are for the outer shell.

  Plate-shaped crystal Rod-shaped crystal
Crystal data
 Space group C2 P43
 Unit-cell parameters (Å) a = 151.9, b = 48.9, c = 60.2 a = b = 29.3, c = 89.8
 Unit-cell volume (Å3) 402141 77213
 Asymmetric unit volume (Å3) 100535 19303
Z 1 [6S RNA] 1 [RNA duplex]
 Solvent content (%) 51.1 53.4
Data collection
 Beamline ID29, ESRF ID23-1, ERSF
 Wavelength (Å) 1.0 1.0723
 Resolution (Å) 35.7–5.0 (5.2–5.0) 20.7–2.6 (2.7–2.6)
 Unique reflections 1264 2330
 Completeness (%) 69.7 (74.9) 99.6 (100.0)
R merge (%) 6.7 (42.5) 9.0 (39.7)
 Multiplicity 2.3 (2.2) 7.2 (7.5)
Structure refinement
 Resolution range (Å)   20.7–2.6
 Used reflections   2330
R factor§ (%)   18.5
R free (%)   22.8
 No. of RNA atoms   517
 No. of waters   23
 R.m.s.d., bond lengths (Å)   0.006
 R.m.s.d., bond angles (°)   1.2

Estimated number of 6S RNAs (132 nt) or RNA duplexes (12 bp) in the asymmetric unit.

R merge = 100 × Inline graphic Inline graphic.

§

R factor = 100 × Inline graphic Inline graphic, where |F obs| and |F calc| are optimally scaled observed and calculated structure-factor amplitudes, respectively.

Calculated using a random set containing 10% of observations.