Table 1.
Data collection and refinement statistics.
| BRX1151 | BX1354 | BRX1555 | |
|---|---|---|---|
| Data collection | |||
| Space group | P3121 | P3121 | P3121 |
| Cell dimensions a = b, c (Å); α = β, γ (°) | 74.4, 140.7; 90, 120 | 71.1, 140.5; 90, 120 | 71.6, 140.3; 90, 120 |
| Wavelength (Å) | 0.979 | 1.5418 | 1.075 |
| Resolution range (Å)a | 140.1–3.0 (3.01–3.00) | 20.0–2.8 (2.9–2.8) | 25.0–2.8 (2.9–2.8) |
| Redundancy | 6.8 (6.6) | 7.1 (1.4) | 11.2 (2.7) |
| Completeness (%) | 99.8 (98.9) | 83.4 (50.9) | 96.8 (87.0) |
| <I/σ(I)> | 17.4 (2.4) | 9.1 (1.7) | 24.6 (2.3) |
| Rmerge (%) | 6.8 (78.1) | 8.5 (38.4) | 7.4 (37.8) |
| Refinement | |||
| Resolution range (Å)a | 30.9–3.03 (3.39–3.00) | 19.55–2.88 (3.22–2.88) | 23.10–2.80 (3.13–2.80) |
| No. of reflections | 8941 (2541) | 8313 (1611) | 10388 (2619) |
| Rwork | 0.223 (0.265) | 0.199 (0.304) | 0.193 (0.251) |
| Rfree | 0.242 (0.270) | 0.257 (0.339) | 0.229 (0.282) |
| No. of non-hydrogen atoms; average B-factor (Å2) | |||
| RNA | 2384; 86.8 | 2333; 77.4 | 2337; 82.4 |
| Ligand | 39; 63.6 | 41; 43.4 | 36; 59.6 |
| Solvent | 13 | 15 | 13 |
| RMSDb (bonds; Å) | 0.01 | 0.01 | 0.01 |
| RMSDb (angles; °) | 0.76 | 0.71 | 0.74 |
| Clashscore (percentile)c | 5.2 (100th) | 3.1 (100th) | 1.7 (100th) |
| PDB ID | 6DN1 | 6DN2 | 6DN3 |
a
Values for the highest resolution shell are given in parentheses.
b
Root-mean square deviations from ideal values.
c
Molprobity clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms (100th percentile is the best among structures of comparable resolution).