Table 2 Data collection and refinement statistics for molecular replacement.
From: Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68
QUA1-KH–UAAU | STAR–AUUAAA | KH-QUA2–AAUAAU | KH–AAAUAA | |
|---|---|---|---|---|
Data collection | ||||
Beamline | Diamond I03 | Diamond I03 | Diamond I04-1 | Diamond I04-1 |
Space group | P 1 21 1 | P 1 21 1 | P 21 21 21 | C 2 2 21 |
Cell dimensions | ||||
a, b, c (Å) | 54.88, 46.06, 83.98 | 51.601, 79.967, 53.831 | 42.38, 45.56, 151.98 | 93.73, 162.22, 113.04 |
α, β, γ (°) | 90, 96.36, 90 | 90, 101.05, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 43.5–2.13 (2.206–2.13) | 25.68–3.03 (3.138–3.03) | 43.64–2.3 (2.382–2.3) | 81.16–2.87 (3.02–2.87) |
Rmerge | 0.05636 (0.6557) | 0.08798 (0.3612) | 0.08045 (0.8574) | 0.1907 (0.7811) |
CC1/2 | 0.999 (0.849) | 0.988 (0.8) | 0.998 (0.898) | 0.989 (0.7) |
CC* | 1 (0.958) | 0.997 (0.939) | 1 (0.973) | 0.997 (0.908) |
I/σI | 18.29 (3.26) | 8.10 (1.96) | 21.25 (3.32) | 8.07 (2.53) |
Completeness (%) | 0.99 (1.00) | 0.94 (0.93) | 1.00 (1.00) | 99.83 (99.03) |
Redundancy | 6.5 (6.6) | 2.6 (2.6) | 12.6 (12.9) | 6.9 (7.2) |
Wilson B-factor | 47.40 | 55.64 | 46.13 | 49.63 |
Twin fraction | — | — | — | 0.198 |
Refinement | ||||
Resolution (Å) | 43.5–2.13 (2.206–2.13) | 28.51–3.03 (3.138–3.03) | 43.64–2.3 (2.382–2.3) | 81.16–2.87 (3.02–2.87) |
No. of reflections | ||||
Total | 153,246 (15,486) | 20,330 (1,967) | 173,701 (17,282) | 137,428 (14,177) |
Unique | 23,555 (2,352) | 7,888 (771) | 13,734 (1,340) | 20,040 (1,962) |
Rwork/Rfree | 0.2043–0.2565 (0.2815–0.3532) | 0.2207–0.2693 (0.2894–0.3744) | 0.2273–0.2694 (0.2641–0.3884) | 0.1875–0.2358 (0.2583–0.3236) |
No. of atoms | 2,597 | 2,606 | 1,927 | 5,631 |
Protein | 2,418 | 2,350 | 1,800 | 5,356 |
RNA | 168 | 256 | 106 | 260 |
Ion | 0 | 0 | 0 | 15 |
Water | 11 | 0 | 21 | 0 |
B-factors | 66.46 | 55.88 | 56.71 | 52.05 |
Protein | 66.31 | 55.93 | 56.60 | 52.62 |
RNA | 69.98 | 55.39 | 60.44 | 39.89 |
Ion | — | — | — | 46.08 |
Water | 45.43 | — | 47.48 | — |
Root mean squared deviations | ||||
Bond lengths (Å) | 0.015 | 0.003 | 0.015 | 0.013 |
Bond angles (°) | 1.51 | 0.669 | 1.81 | 1.46 |
Ramachandran plot | ||||
% Favoured | 96 | 98 | 98 | 95 |
% Outliers | 0.34 | 0.35 | 0 | 1.5 |
Molprobity | ||||
Clashcores | 14.83 | 5.04 | 3.91 | 20.6 |
