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 ×
.
R factor = 100 ×
, 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.